phenylalanine profile

Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

L-phenylalanine : The L-enantiomer of phenylalanine. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	6140
CHEMBL ID	301523
CHEBI ID	17295
SCHEMBL ID	8119
MeSH ID	M0016544
PubMed CID	994
CHEMBL ID	25080
CHEBI ID	28044
SCHEMBL ID	8118
MeSH ID	M0016544
PubMed CID	71567
CHEMBL ID	379630
CHEBI ID	16998
SCHEMBL ID	92744
MeSH ID	M0016544

Synonym
fenilalanina
beta-phenyl-l-alanine
CHEBI:17295 ,
(s)-2-amino-3-phenylpropionic acid
(2s)-2-amino-3-phenylpropanoic acid
l-phenylalanine (jp17)
D00021
phenylalanine (usp/inn)
phenylalanine [usan:inn:jan]
fenilalanina [spanish]
phenylalanine (van)
phenylalanine, l-
nsc 79477
alpha-aminohydrocinnamic acid, l-
phenylalaninum [latin]
einecs 200-568-1
nsc-79477
3-phenyl-l-alanine
l-antibiotic fn 1636
l-alanine, phenyl-
(s)-phenylalanine
alanine, 3-phenyl-
phenylalamine
antibiotic fn 1636
3-phenylalanine
NCGC00013103
hydrocinnamic acid, alpha-amino-
(s)-alpha-amino-benzenepropanoic acid
alanine, phenyl-, l-
2-amino-3-phenylpropionic acid, l-
(l)-phenylalanine
(s)-alpha-aminohydrocinnamic acid
hsdb 1825
l-alanine, 3-phenyl-
benzenepropanoic acid, alpha-amino-, (s)-
alpha-aminohydrocinnamic acid
(s)-2-amino-3-phenylpropanoic acid
(s)-(-)-phenylalanine
alpha-amino-beta-phenylpropionic acid, l-
fema no. 3585
beta-phenylalnine, (-)-
63-91-2
l-phenylalanine
C00079
PHE ,
phenylalanine
l-phe
(s)-alpha-amino-beta-phenylpropionic acid
endophenyl
l-phenylalanine, from non-animal source, meets ep, jp, usp testing specifications, suitable for cell culture, 98.5-101.0%
l-phenylalanine, reagent grade, >=98%
l-phenylalanine, 99%, fcc
1USI
1F2P
DB00120
NCI9959 ,
NCGC00095047-02
NCGC00095047-01
NCGC00095047-04
NCISTRUC2_000248
NCISTRUC1_000204
NCGC00095047-03
l-phenylalanine, bioultra, >=99.0% (nt)
1F9436B3-8B0D-4AC6-A004-4249B0BDA436 ,
CHEMBL301523 ,
laevo-phenyl alanine
BMSE000045
l-phenylalinine
P0134
h-phe-oh
A20654
l(-)-phenylalanine; beta-phenylalanine;dl-2-amino-3-phenylpropanoic acid;
67675-33-6
BMSE000900
BMSE000921
BMSE001016
AKOS010373257
M02961
l-phenylalanine (h-phe-oh)
CCG-37572
NCGC00013103-04
NCGC00013103-05
NCGC00013103-02
NCGC00013103-03
phenylalanine [usan:usp:inn:jan]
47e5o17y3r ,
ccris 4254
unii-47e5o17y3r
phenylalaninum
l-phenylaniline
BP-20538
AM20060774
phenylalanine [mart.]
tyrosine impurity a [ep impurity]
phenylalanine [ep monograph]
phenylalanine [mi]
l-phenylalanine [jan]
phenylalanine [inci]
phenylalanine [ii]
nateglinide impurity d [ep impurity]
phenylalanine [usp monograph]
phenylalanine [vandf]
l-phenylalanine [fhfi]
phenylalanine [usan]
l-.alpha.-amino-.beta.-phenylpropionic acid
l-phenylalanine [usp-rs]
lysine hydrochloride impurity b [ep impurity]
l-phenylalanine [fcc]
phenylalanine [hsdb]
phenylalanine [inn]
phenylalanine [who-dd]
leucine impurity c [ep impurity]
AKOS015853585
gtpl3313
HY-N0215
l-[2,3,4,5,6-3h]phenylalanine
bdbm18073
SCHEMBL8119
racemic phenylalanine
l-phenyl alanine
pheoh
l-2-amino-3-phenyl-propionic acid
(-)-phenylalanine
(s)-.alpha.-aminobenzenepropanoic acid
benzenepropanoic acid, .alpha.-amino-, (s)-
Q-201326
AC-22417
DTXSID4040763 ,
l-phenylalanine, cell culture reagent (h-l-phe-oh)
F0001-2360
l-phenylalanine, analytical standard, for nitrogen determination according to kjeldahl method
l-phenylalanine, united states pharmacopeia (usp) reference standard
l-phenylalanine, certified reference material, tracecert(r)
l-phenylalanine, saj special grade, >=99.0%
l-phenylalanine, 99%, natural, fcc, fg
l-phenylalanine, pharmaceutical secondary standard; certified reference material
l-phenylalanine, vetec(tm), 98.5%
l-phenylalanine, vetec(tm) reagent grade, >=98%
l-phenylalanine, 99%
phenylalanine, european pharmacopoeia (ep) reference standard
phenylalanine (l-phenylalanine)
(s)-alpha-aminohydrocinnamate
l-2-amino-3-phenylpropionate
l-2-amino-3-phenylpropionic acid
(s)-alpha-aminobenzenepropanoate
(s)-2-amino-3-phenylpropionate
beta-phenyl-alpha-alanine
(s)-alpha-amino-beta-phenylpropionate
(s)-alpha-aminobenzenepropanoic acid
(s)-2-amino-3-phenylpropanoate
alpha-aminohydrocinnamate
(-)-beta-phenylalanine
(s)-alpha-amino-benzenepropanoate
AS-14129
Q170545
3-(2-aminoethyl)-1,3-thiazolidine-2,4-dionehydrochloride
is_phenylalanine-2,3,4,5,6-d5
AC8117
l-phenylalanine non-animal source
EN300-52626
dtxcid2020763
phenylalanine (mart.)
1-phenylalanine
phenylalanine (usp monograph)
phenylalanine1532
phenylalanine (ep monograph)
phenylalanine phenolic
phenylalanine (ii)
phenylalanine (usan:usp:inn:jan)
phenylalaninum (latin)
Z756430566
nsc-620354
nsc620354
CHEBI:28044 ,
phenylalanin
2-amino-3-phenylpropanoic acid
d-.beta.-phenylalanine
nsc-25005
nsc25005
NCI60_042233
NCIOPEN2_000782
dl-.beta.-phenyl-.alpha.-alanine
nsc9959 ,
dl-.alpha.-amino-.beta.-phenylpropionic acid
dl-3-phenylalanine
(.+-.)-phenylalanine
dl-2-amino-3-phenylpropanoic acid
dl-.beta.-phenylalanine
nsc-9959
.beta.-phenylalanine, dl-
dl-phenylalanine
hydrocinnamic acid, .alpha.-amino-
.beta.-phenylalanine
.beta.-phenyl-.alpha.-alanine, l-
.alpha.-aminohydrocinnamic acid
nsc79477
.beta.-phenyl-.alpha.-alanine
phenyl-.alpha.-alanine
(-)-.beta.-phenylalanine
.beta.-phenyl-l-alanine
l-.beta.-phenylalanine
wln: qvyz1r -l
.alpha.-amino-.beta.-phenylpropionic acid
alanine, phenyl-
150-30-1
C02057
alpha-amino-beta-phenylpropionic acid
dl-phenylalanine, 99%, fcc
dl-phenylalanine, reagentplus(r), 99%
nsc 9959
dl-alpha-amino-beta-phenylpropionic acid
einecs 205-756-7
phenylalanine dl-form
2-amino-3-phenylpropionic acid, dl-
alpha-aminohydrocinnamic acid, dl-
ai3-18436
alanine, phenyl-, dl-
fema no. 3726
phenylalanine, dl-
405050EF-CE0F-49DD-B7BE-91B88285C2EE
CHEMBL25080
AKOS000118905
dlpa
HMS1668C09
h-dl-phe-oh
P0136
NCGC00186640-01
unii-8p946uf12s
8p946uf12s ,
ccris 8601
dtxcid103463
NCGC00013103-01
dtxsid9023463 ,
tox21_110011
cas-150-30-1
(+/-)-2-amino-3-phenylpropionic acid
30394-07-1
2-amino-3-phenylpropionic acid
FT-0641824
FT-0605139
FT-0625503
FT-0627991
AM20060828
AB02575
AB00345
AB02573
dl-phenylalanine [who-dd]
(+/-)-.beta.-phenyl-.alpha.-alanine
phenylalanine dl-form [mi]
(+/-)-3-phenyl-2-aminopropanoic acid
dl-phenylalanine [fcc]
phenylalanine,dl-
dl-2-amino-3-phenylpropionic acid
phenylalanine dl
(+/-)-phenylalanine
dl-phenylalanine [fhfi]
SCHEMBL8118
SY005120
dl-phenyl alanine
d,l-phe
2-amino-3-phenyl-propionic acid
d,1-phenylalanine
2-amino 3-phenylpropionic acid
d,l-phenylalanine
(rs)-phenylalanine
c6h5ch2ch(nh2)cooh
(2s)-2-amino-3-phenyl-propanoic acid
AKOS016842339
(.+/-.)-phenylalanine
3617-44-5
Q-101532
AC-24032
l-phenylalanine-15n;29700-34-3;490105_aldrich;schembl1332296
mfcd00064227
mfcd00064225
F2191-0209
dl-phenylalanine, puriss., >=99.0% (nt)
dl-phenylalanine, vetec(tm) reagent grade, 98%
Z57127433
SY001531
CS-W018529
BCP16807
butane,4-dichloro-1,4-diphenyl
dl-phenyl(alanine-3-13c)
Q27103475
AS-12096
(dl)-phenylalanine
180268-82-0
h-phe-oh(n15)
STL194273
D77851
phe142
EN300-17980
phenylalanine,clinical detection,general bacteria tiny biochemical identification tube
HY-B1732
l-phenylalanine, ring-13c6
dl-phenylalanine-carboxy-13c
bdbm36161
CHEBI:16998 ,
d-phe
phenylalanine d-form
dphe
(2r)-2-amino-3-phenylpropanoic acid
sabiden
KBIO1_000453
DIVK1C_000453
SPECTRUM_001725
IDI1_000453
nsc 25005
ccris 6267
einecs 211-603-5
nci-c60195
alanine, phenyl-, d-
d-phenylalanine ,
d-alpha-amino-beta-phenylpropionic acid
C02265
673-06-3
d-phenylalanine, >=98% (hplc)
DB02556
NCGC00163338-01
KBIO2_007341
KBIOSS_002205
KBIO2_004773
KBIOGR_001529
KBIO2_002205
SPECTRUM4_000865
SPBIO_001436
NINDS_000453
SPECTRUM2_001558
SPECTRUM1503391
SPECTRUM5_001137
4C53B247-2FE4-4464-92C0-9F3782A08966
AC-11292
CHEMBL379630
HMS501G15
h-d-phe-oh
P0135
HMS1922C08
A20666
d-alpha-amino-beta-phenylpropionic acid;d-beta-phenyl-alpha-aminopropionic acid
AKOS007930513
EN300-60166
(r)-2-amino-3-phenylpropionic acid
nsc-758460
pharmakon1600-01503391
nsc758460
S4153
CCG-39336
phenylalanine,d-
032k16vrcu ,
unii-032k16vrcu
d-(+)-phenylalanine
gtpl5797
M02934
SCHEMBL92744
AM83526
d-phenylalanine [who-dd]
phenylalanine d-form [mi]
phenylalanine, d-
mfcd00004270
(d)-phenylalanine
hdpheoh
(r)-phenylalanine
d-.beta.-phenyl-.alpha.-alanine
J-300203
(r)-2-amino-3-phenylpropanoic acid
Q-101646
AB00052351_03
AB00052351_02
DTXSID4025876
AC-8664
sr-01000872765
SR-01000872765-1
d-phenylalanine, >=99%
d-phenylalanine, vetec(tm) reagent grade, >=98%
SBI-0051820.P002
l-3-phenylalanine
CS-W020009
phenylalanine,(s)
Q26841253
AS-11997
HY-Y0079
NCGC00163338-03
Z933646062

Excerpt	Reference	Relevance
" Naltrexone (10 mg/kg, ip) given 5 min before pentobarbital did not alter the LD50 of the latter."	( Studies of the possible role of brain endorphins in pentobarbital anesthesia and toxicity in mice. Bhargava, HN, 1979)	0.26
"A reduction in the level of a new enzymatic assay--a phenyl valerate hydrolase (PVH)--has been found during the clinical evolution of toxic neuropathies (as almitrine-bismetilate ones) as well as alcoholic or diabetic neuropathies."	( [Lymphocyte phenylvaleric acid hydroxylase activity (L-PVH), a new marker of peripheral neurotoxicity]. Bourre, JM; Fournier, E; Fournier, LE; Lecorsier, A, 1992)	0.28
" In the acute toxicity test of 10B-BPA, LD50 values of acidic 10B-BPA for intraperitoneal and subcutaneous injections were 640 mg/kg for male and 710 mg/kg for female rats, and more than 1,000 mg/kg for male and female rats, respectively."	( Acute and subacute toxicity of 10B-paraboronophenylalanine. Fujiwara, H; Kuno, T; Saito, N; Sakaue, M; Shuntoh, H; Tanaka, C; Taniyama, K, )	0.13
"This report examines the safety issues related to the nutritive sweetener aspartame, including possible toxic effects of aspartame's component amino acids, aspartic acid and phenylalanine, and its major decomposition products, methanol and diketopiperazine, and the potential synergistic effect of aspartame and dietary carbohydrate on brain neurochemicals."	( Aspartame. Review of safety issues. Council on Scientific Affairs. , 1985)	0.27
" These data suggest that PAL-reactors may be safe for in vivo use to control excess Phe brought about by fever, infection or pregnancy in phenylketonuric individuals otherwise balanced by a Phe-poor diet."	( In vivo safety of hollow fiber enzyme-reactors with immobilized phenylalanine ammonia-lyase in a large animal model for phenylketonuria. Ambrus, CM; Ambrus, JL; Anthone, S; Cooley, C; Horváth, C; Kalghatgi, K; Mirand, EA; Sharma, SD, 1983)	0.27
" Supraoptimal amounts of glycine, arginine, and tryptophan were fed in an attempt to alleviate the toxic symptoms observed in birds fed high phenylalanine diets."	( Partial alleviation of phenylalanine toxicity in the chick by supplemental dietary tryptophan. Elkin, RG; Rogler, JC, 1983)	0.27
" The most toxic is AtxA, followed by AtxC, its naturally occurring F124-->I/K128-->E mutant, which is 17 times less toxic."	( An aromatic, but not a basic, residue is involved in the toxicity of group-II phospholipase A2 neurotoxins. Gubensek, F; Krizaj, I; Liang, NS; Pungercar, J, 1999)	0.3
" Intranasal ruprintrivir, administered as single doses of 4 and 8 mg or every 3 h, six times per day, for 7 days was safe and well tolerated."	( Pharmacokinetics and safety of an antirhinoviral agent, ruprintrivir, in healthy volunteers. Gersten, M; Hsyu, PH; Kerr, BM; Penning, CA; Pithavala, YK, 2002)	0.31
" In sum, nateglinide is a safe and effective therapeutic option for treatment of patients with mild to moderate fasting hyperglycemia."	( Efficacy and safety of nateglinide in type 2 diabetic patients with modest fasting hyperglycemia. Ball, M; Dickinson, S; Hershon, K; Holmes, D; Saloranta, C, 2002)	0.31
" The frequency of adverse effects was low and no serious adverse effects were encountered."	( Efficacy and safety of nateglinide in the treatment of type II diabetes mellitus. Chandrasekharan, S; Desai, A; Ganesan, R; Jain, SD; Jayaram, S; Rao, PP, 2002)	0.31
" Nateglinide was not associated with hypoglycemia or other adverse events."	( Evaluation of a new insulinotropic agent by using an innovative technology: efficacy and safety of nateglinide determined by continuous glucose monitoring. Abrahamian, H; Dzien, A; Francesconi, M; Loiskandl, A; Prager, R; Weitgasser, R, 2004)	0.32
" Only one subject on nateglinide and metformin was withdrawn due to the side effect of hypoglycaemia."	( Nateglinide alone or with metformin safely improves glycaemia to target in patients up to an age of 84. Atkin, SL; Robertson, D; Weaver, JU, 2004)	0.32
"These data demonstrate that nateglinide is a safe and effective agent in treatment to target in patients with T2Dm up to an age of 84 years."	( Nateglinide alone or with metformin safely improves glycaemia to target in patients up to an age of 84. Atkin, SL; Robertson, D; Weaver, JU, 2004)	0.32
"3%) patients and 80 events as adverse drug reactions in 66 (1."	( Safety of nateglinide as used in general practice in England: results of a prescription-event monitoring study. Layton, D; Shakir, SA; Twaites, B; Wilton, LV, 2007)	0.34
" No severe adverse events were noted."	( [Clinical evaluation of efficacy and safety of nateglinide in the treatment of type 2 diabetes]. Chen, L; Ding, GX; Guo, Y; Hou, WK; Hu, GL; Ji, QH; Li, QF; Li, YX; Luo, R; Wang, H; Wang, PN; Wang, SJ; Zhang, NY; Zhang, YP, 2008)	0.35
"Nateglinide is an effective and safe drug in treating type 2 diabetes."	( [Clinical evaluation of efficacy and safety of nateglinide in the treatment of type 2 diabetes]. Chen, L; Ding, GX; Guo, Y; Hou, WK; Hu, GL; Ji, QH; Li, QF; Li, YX; Luo, R; Wang, H; Wang, PN; Wang, SJ; Zhang, NY; Zhang, YP, 2008)	0.35
"The existing data on the safe upper limits of amino acid intake in humans is essentially observational; how much do individuals ingest and what side effects do they have? There are numerous studies in humans comparing the effects of high doses of amino acids given as protein bound vs."	( An approach to defining the upper safe limits of amino acid intake. Ball, RO; Elango, R; Pencharz, PB, 2008)	0.35
" Sixty-eight (85%) patients had at least one adverse event (AE)."	( Safety and efficacy of 22 weeks of treatment with sapropterin dihydrochloride in patients with phenylketonuria. Bebchuk, J; Burton, BK; Christ-Schmidt, H; Crombez, E; Dorenbaum, A; Giovannini, M; Lee, P; Morris, AA; Seashore, M; Treacy, EP; Waber, L; Wasserstein, M; Wendel, U; Wolff, J, 2008)	0.35
" No serious ocular or nonocular adverse events (AEs) occurred over 1,148 subject study days (41 days/subject) and no significant abnormalities were identified on ocular exam."	( Safety and pharmacokinetics of a novel lymphocyte function-associated antigen-1 antagonist ophthalmic solution (SAR 1118) in healthy adults. Burnier, JP; Gadek, TR; Haughey, DB; Newman, MS; O'Neill, CA; Semba, CP; Smith, VL; Swearingen, D, 2011)	0.37
" Routine safety monitoring was performed at 3-month intervals and included adverse event reporting, blood Phe monitoring, clinical laboratory evaluations, physical examinations and vital sign measurements."	( Safety of extended treatment with sapropterin dihydrochloride in patients with phenylketonuria: results of a phase 3b study. Burton, BK; Chakrapani, A; Dorenbaum, A; Fernhoff, PM; Grange, DK; Hennermann, JB; Imperiale, M; Kim, SS; Lipson, M; Nowacka, M; Trefz, F, 2011)	0.37
" Most adverse events were considered unrelated to treatment, were mild or moderate in severity, and were consistent with prior studies of sapropterin."	( Safety of extended treatment with sapropterin dihydrochloride in patients with phenylketonuria: results of a phase 3b study. Burton, BK; Chakrapani, A; Dorenbaum, A; Fernhoff, PM; Grange, DK; Hennermann, JB; Imperiale, M; Kim, SS; Lipson, M; Nowacka, M; Trefz, F, 2011)	0.37
"Sapropterin treatment was found to be safe and well tolerated at doses of 5 to 20mg/kg/day for an average exposure of 659 days."	( Safety of extended treatment with sapropterin dihydrochloride in patients with phenylketonuria: results of a phase 3b study. Burton, BK; Chakrapani, A; Dorenbaum, A; Fernhoff, PM; Grange, DK; Hennermann, JB; Imperiale, M; Kim, SS; Lipson, M; Nowacka, M; Trefz, F, 2011)	0.37
"BH4-therapy is efficient and safe before the age of 4 years in mild PKU, BH4-responsive patients."	( Efficacy and safety of BH4 before the age of 4 years in patients with mild phenylketonuria. Barth, M; de Parscau, L; Eyer, D; Feillet, F; Gilbert-Dussardier, B; Kuster, A; Labarthe, F; Leuret, O; Odent, S, 2012)	0.38
" The only adverse events reported were instillation site irritation (4/13, 31%) and dysgeusia (3/13, 23%)."	( Safety, tolerability, and bioavailability of topical SAR 1118, a novel antagonist of lymphocyte function-associated antigen-1: a phase 1b study. Do, DV; Gadek, TR; Gehlbach, P; Handa, JT; Nguyen, QD; Paskowitz, DM; Semba, C; Shaikh, O; Solomon, S; Stark, W, 2012)	0.38
"Topical SAR 1118 was safe and well tolerated, and dose-dependent levels of drug were detected in aqueous."	( Safety, tolerability, and bioavailability of topical SAR 1118, a novel antagonist of lymphocyte function-associated antigen-1: a phase 1b study. Do, DV; Gadek, TR; Gehlbach, P; Handa, JT; Nguyen, QD; Paskowitz, DM; Semba, C; Shaikh, O; Solomon, S; Stark, W, 2012)	0.38
" Mild diarrhea was the adverse events associated with AA-PKU2 treatment, which occurred in 3 (2."	( [Efficacy and safety of a phenylalanine-free amino acid-based enteral formula (AA-PKU2) in 1-8 year-old children with phenylketonuria: a prospective, open, self-controlled and multi-center study in China]. Gu, Q; Gu, XF; Jiang, JH; Lu, J; Shen, M; Zhao, ZY; Zhou, XL; Zou, H, 2014)	0.4
"The phenylalanine-free amino acid-based formula, AA-PKU2, is effective and safe in controlling blood PHE levels and improving mental development with adequate nutritional support in PKU."	( [Efficacy and safety of a phenylalanine-free amino acid-based enteral formula (AA-PKU2) in 1-8 year-old children with phenylketonuria: a prospective, open, self-controlled and multi-center study in China]. Gu, Q; Gu, XF; Jiang, JH; Lu, J; Shen, M; Zhao, ZY; Zhou, XL; Zou, H, 2014)	0.4
" The toxicity assay on primary cultures of astrocytes indicated that the synthetized conjugate was less toxic than both free VPA and L-Phenylalanine."	( N-valproyl-L-phenylalanine as new potential antiepileptic drug: synthesis, characterization and in vitro studies on stability, toxicity and anticonvulsant efficacy. Avellone, G; Carafa, M; Carletti, F; De Caro, V; Ferrantelli, E; Giannola, LI; Rizzo, V; Sardo, P; Scaturro, AL; Schiera, G; Sutera, FM, 2014)	0.4
" In conclusion, a lack of toxic effects of L-(10)BPA was demonstrated, nevertheless accompanied by cellular stress phenomena (e."	( Blood-brain barrier (BBB) toxicity and permeability assessment after L-(4-¹⁰Boronophenyl)alanine, a conventional B-containing drug for boron neutron capture therapy, using an in vitro BBB model. Bernocchi, G; Coccini, T; Nion, S; Roda, E, 2014)	0.4
" During the study, adverse events were reported in 24 (26."	( [Open, non-comparative phase III clinical study to evaluate the efficacy and safety of sapropterin in patients with phenylketonuria and hyperphenylalaninemia]. Akhmadeeva, ÉN; Alimova, IL; Bazhenova, IuL; Borovik, TÉ; Bushueva, TV; Filimonova, MN; Garifullina, ÉR; Kostiakova, EA; Kovtun, OP; Kuzenkova, LM; Mardanova, AK; Minaĭcheva, LI; Nazarenko, LP; Pichkur, NA; Rozenson, OL; Saliukova, OA; Samonenko, NV; Seitova, GN; Shkurko, TA; Sivokha, VM, 2014)	0.4
" Drug-related adverse events (AEs) were reported in 6% of subjects, were mostly considered non-serious, and were identified in the gastrointestinal, respiratory, and nervous systems."	( Long-term safety and efficacy of sapropterin: the PKUDOS registry experience. Arnold, GL; Cohen-Pfeffer, JL; Enns, GM; Ficicioglu, C; Longo, N; Parker, S; Pridjian, G, 2015)	0.42
" The primary objective was percentage and severity of treatment-emergent adverse events (TEAEs)."	( Safety of Lifitegrast Ophthalmic Solution 5.0% in Patients With Dry Eye Disease: A 1-Year, Multicenter, Randomized, Placebo-Controlled Study. Donnenfeld, ED; Karpecki, PM; Majmudar, PA; Nichols, KK; Raychaudhuri, A; Roy, M; Semba, CP, 2016)	0.43
"0% seemed safe and well tolerated in this study, with no unexpected adverse events."	( Safety of Lifitegrast Ophthalmic Solution 5.0% in Patients With Dry Eye Disease: A 1-Year, Multicenter, Randomized, Placebo-Controlled Study. Donnenfeld, ED; Karpecki, PM; Majmudar, PA; Nichols, KK; Raychaudhuri, A; Roy, M; Semba, CP, 2016)	0.43
"01) and had no side effects or toxic effects on the thymus index (P>0."	( Fabrication of novel vesicles of triptolide for antirheumatoid activity with reduced toxicity in vitro and in vivo. Huang, J; Li, J; Li, Q; Liang, Q; Wang, T; Wang, Y; Xu, H; Zhang, L, 2016)	0.43
" Adverse events (AEs) were assessed, with special focus on opioid-related AEs, including suspected sphincter of Oddi spasm (SOS) events."	( Safety of Eluxadoline in Patients with Irritable Bowel Syndrome with Diarrhea. Cash, BD; Covington, PS; Dove, LS; Lacy, BE; Schoenfeld, PS, 2017)	0.46
" Consistent with the known adverse effects of opioid agonists, clinically apparent SOS events were observed in eluxadoline-treated patients."	( Safety of Eluxadoline in Patients with Irritable Bowel Syndrome with Diarrhea. Cash, BD; Covington, PS; Dove, LS; Lacy, BE; Schoenfeld, PS, 2017)	0.46
"The ability of two peptidomimetic hydroxamate metalloproteinase inhibitors, Batimastat and Marimastat, to abrogate toxic and proteinase activities of the venom of Echis ocellatus from Cameroon and Ghana was assessed."	( Peptidomimetic hydroxamate metalloproteinase inhibitors abrogate local and systemic toxicity induced by Echis ocellatus (saw-scaled) snake venom. Arias, AS; Gutiérrez, JM; Rucavado, A, 2017)	0.46
" Such alterations are thought to be mainly associated with the toxic effects caused by phenylalanine."	( AMP-activated protein kinase activation in mediating phenylalanine-induced neurotoxicity in experimental models of phenylketonuria. Ben, X; Lu, L; Peng, M; Xiao, L; Zhang, Y, 2018)	0.48
" The primary safety and efficacy endpoints were incidence of treatment-emergent adverse events (TEAEs) and percent change from baseline in 24-h u5-HIAA at week 12."	( Telotristat ethyl in carcinoid syndrome: safety and efficacy in the TELECAST phase 3 trial. Anthony, LB; Benavent, M; Fleming, D; Fleming, R; Garcia-Carbonero, R; Gross, DJ; Hörsch, D; Jiang, W; Kassler-Taub, K; Kulke, MH; Kunz, PL; Lapuerta, P; Pavel, M; Perros, P; Srirajaskanthan, R; Warner, RRP; Wason, S; Weickert, MO, 2018)	0.48
" All participants experienced adverse events (AEs), which were limited to mild or moderate severity in most (88."	( Long-term safety and efficacy of pegvaliase for the treatment of phenylketonuria in adults: combined phase 2 outcomes through PAL-003 extension study. Burton, BK; Decker, C; Jiang, J; Larimore, K; Lau, K; Li, M; Longo, N; Thomas, JA; Vockley, J; Wasserstein, MP; Zori, R, 2018)	0.48
" Treatment-emergent adverse events and drop comfort scores were assessed."	( Safety and tolerability of lifitegrast ophthalmic solution 5.0%: Pooled analysis of five randomized controlled trials in dry eye disease. Donnenfeld, ED; Hovanesian, JA; Karpecki, PM; Nichols, KK; Raychaudhuri, A; Shojaei, A; Zhang, S, 2019)	0.51
" Ocular treatment-emergent adverse events occurring in >5% in either group were instillation site irritation (lifitegrast, 15."	( Safety and tolerability of lifitegrast ophthalmic solution 5.0%: Pooled analysis of five randomized controlled trials in dry eye disease. Donnenfeld, ED; Hovanesian, JA; Karpecki, PM; Nichols, KK; Raychaudhuri, A; Shojaei, A; Zhang, S, 2019)	0.51
"0% appeared to be safe and well tolerated for the treatment of dry eye disease."	( Safety and tolerability of lifitegrast ophthalmic solution 5.0%: Pooled analysis of five randomized controlled trials in dry eye disease. Donnenfeld, ED; Hovanesian, JA; Karpecki, PM; Nichols, KK; Raychaudhuri, A; Shojaei, A; Zhang, S, 2019)	0.51
" Incidence of adverse events during alosetron use was not remarkable and was similar to that previously reported."	( Alosetron versus traditional pharmacotherapy in clinical practice: effects on resource use, health-related quality of life, safety and symptom improvement in women with severe diarrhea-predominant irritable bowel syndrome. Chey, WD; Chuang, E; Earnest, DL; Olden, KW; Paul Nicandro, J; Shringarpure, R, 2019)	0.51
" Pegvaliase-specific IgE levels were measured in patients after hypersensitivity adverse events (HAE)."	( Association of immune response with efficacy and safety outcomes in adults with phenylketonuria administered pegvaliase in phase 3 clinical trials. Atkinson, JP; Boyer, R; Gu, Z; Gupta, S; Harding, CO; Knight, V; Larimore, K; Lau, K; Li, M; Olbertz, J; Rosen, O; Schweighardt, B; Shepherd, G; Weng, HH; Zoog, SJ, 2018)	0.48
" Adverse events included headache (n = 1) and nausea (n = 1)."	( Single-Dose Pharmacokinetics and Safety of Solriamfetol in Participants With Normal or Impaired Renal Function and With End-Stage Renal Disease Requiring Hemodialysis. Chen, D; Lasseter, K; Lee, L; Marbury, T; Zomorodi, K, 2019)	0.51
" Rates of adverse events were comparable in both groups (37."	( Efficacy and Safety of Eluxadoline in Patients With Irritable Bowel Syndrome With Diarrhea Who Report Inadequate Symptom Control With Loperamide: RELIEF Phase 4 Study. Brenner, DM; Cash, BD; Elmes, SJR; Gutman, CR; Jo, E; Liu, LWC; Sayuk, GS, 2019)	0.51
"Eluxadoline appears safe and effective for treating IBS-D symptoms in patients with an intact gallbladder reporting inadequate relief with prior loperamide use."	( Efficacy and Safety of Eluxadoline in Patients With Irritable Bowel Syndrome With Diarrhea Who Report Inadequate Symptom Control With Loperamide: RELIEF Phase 4 Study. Brenner, DM; Cash, BD; Elmes, SJR; Gutman, CR; Jo, E; Liu, LWC; Sayuk, GS, 2019)	0.51
" Common treatment-emergent adverse events (TEAEs) with solriamfetol were headache, nausea, nasopharyngitis, insomnia, dry mouth, anxiety, decreased appetite, and upper respiratory tract infection; 27 (4."	( Long-term study of the safety and maintenance of efficacy of solriamfetol (JZP-110) in the treatment of excessive sleepiness in participants with narcolepsy or obstructive sleep apnea. Ahmed, M; Baladi, M; Chandler, P; Foldvary-Schaefer, N; Hedner, J; Lee, L; Malhotra, A; Mayer, G; Pepin, JL; Sarmiento, K; Schwab, R; Shapiro, C; Strollo, PJ, 2020)	0.56
" Common adverse events (headache, nausea, decreased appetite, and nasopharyngitis) were similar between cataplexy subgroups."	( Solriamfetol for the Treatment of Excessive Daytime Sleepiness in Participants with Narcolepsy with and without Cataplexy: Subgroup Analysis of Efficacy and Safety Data by Cataplexy Status in a Randomized Controlled Trial. Black, J; Carter, LP; Chen, D; Dauvilliers, Y; Emsellem, H; Lammers, GJ; Lee, L; Mayer, G; Plazzi, G; Shapiro, C; Thorpy, MJ, 2020)	0.56
" The primary outcomes were mean difference in the maintenance of wakefulness test (MWT), Epworth sleepiness scale (ESS) score, and risk ratio of adverse events."	( Efficacy and safety of solriamfetol for excessive daytime sleepiness in narcolepsy and obstructive sleep apnea: a systematic review and meta-analysis of clinical trials. Jha, D; K C, B; Ray, BK; Singh, R; Subedi, R; Thakur, RK, 2020)	0.56
"25% PHE, was heat deactivated (becoming deactivated ASP (DASP)) and evaluated for safe use as an ingredient in foods, including medical foods."	( Repeat-dose animal toxicity studies and genotoxicity study with deactivated alkaline serine protease (DASP), a protein low in phenylalanine (PHE). Burdock, GA; Cowley, AB; Li, QS, 2020)	0.56
" The proportion of patients with at least one adverse event was significantly increased in solriamfetol group (RR = 1."	( Efficacy and safety of solriamfetol for excessive sleepiness in narcolepsy and obstructive sleep apnea: findings from randomized controlled trials. Chen, G; Gao, H; Li, X; Wang, J; Wang, T; Xu, X; Xu, Z; Yang, S, 2021)	0.62
" In addition, solriamfetol showed good efficacy for excessive sleepiness in narcolepsy and OSA but also significantly increases the risk of adverse events."	( Efficacy and safety of solriamfetol for excessive sleepiness in narcolepsy and obstructive sleep apnea: findings from randomized controlled trials. Chen, G; Gao, H; Li, X; Wang, J; Wang, T; Xu, X; Xu, Z; Yang, S, 2021)	0.62
"This post hoc analysis characterized the weekly incidence and overall duration of common early-onset, treatment-emergent adverse events (TEAEs) during solriamfetol treatment."	( Incidence and duration of common early-onset adverse events in randomized controlled trials of solriamfetol for treatment of excessive daytime sleepiness in obstructive sleep apnea and narcolepsy. Bujanover, S; Dauvilliers, Y; Gotfried, M; Malhotra, A; Rosenberg, R; Scheckner, B; Schweitzer, PK; Thorpy, MJ; Zammit, G, 2022)	0.72
" Incidence and duration of common early-onset adverse events in randomized controlled trials of solriamfetol for treatment of excessive daytime sleepiness in obstructive sleep apnea and narcolepsy."	( Incidence and duration of common early-onset adverse events in randomized controlled trials of solriamfetol for treatment of excessive daytime sleepiness in obstructive sleep apnea and narcolepsy. Bujanover, S; Dauvilliers, Y; Gotfried, M; Malhotra, A; Rosenberg, R; Scheckner, B; Schweitzer, PK; Thorpy, MJ; Zammit, G, 2022)	0.72
" There were no deaths, serious treatment-emergent adverse events, or discontinuations due to adverse events during the study."	( Safety and Efficacy of Eluxadoline in Patients with Irritable Bowel Syndrome-Diarrhea With or Without Bile Acid Diarrhea: Open-Label Study. Boinpally, R; Breen-Lyles, M; Busciglio, I; Camilleri, M; Carrothers, TJ; Maselli, D; Muslin, A; Nord, SL; Vijayvargiya, P, 2022)	0.72
"Eluxadoline is similarly efficacious in the treatment of IBS-D and BAD, and it appears to be safe and efficacious as documented in large clinical trials."	( Safety and Efficacy of Eluxadoline in Patients with Irritable Bowel Syndrome-Diarrhea With or Without Bile Acid Diarrhea: Open-Label Study. Boinpally, R; Breen-Lyles, M; Busciglio, I; Camilleri, M; Carrothers, TJ; Maselli, D; Muslin, A; Nord, SL; Vijayvargiya, P, 2022)	0.72
" However, little is known about the toxic effects of dinotefuran enantiomers on aquatic organisms."	( Insight into the differences in the toxicity mechanisms of dinotefuran enantiomers in zebrafish by UPLC-Q/TOF-MS. Chen, H; Hu, D; Lu, P; Ming, R; Yang, Y; Zhou, X, 2022)	0.72
" All 12 participants reported ≥1 adverse event (AE), most commonly injection site erythema and injection site swelling (n = 10, 83."	( Two-year interim safety and efficacy of pegvaliase in Japanese adults with phenylketonuria. Hamazaki, T; Ishige, M; Ito, T; Kuwahara, M; Lee, L; Shintaku, H, 2023)	0.91

Excerpt	Reference	Relevance
"Nonspecific pharmacodynamic effects of synthetic thrombin inhibitors, basically substituted N alpha-arylsulfonylated phenylalanine amides, were studied in animal experiments."	( [The pharmacodynamics of synthetic thrombin inhibitors of the basic type substituted n-alpha arylsulfonylated phenylalanine amide]. Hauptmann, J; Kaiser, B; Markwardt, F, 1987)	0.27
"To elucidate the pharmacokinetic and metabolic behavior of N-L-phenylalanyl-L-2-amino-1-phenylpropane (7), which resembles antidepressants in its pharmacological spectrum, 14C-labelled 7 was synthesized."	( [Investigations of pharmacokinetics and metabolic behavior of N-L-pnenylalanyl-L-2-amino-1-phenylpropane (author's transl)]. Beck, D; Hölzl, J; Schönenberger, H, 1981)	0.26
" The sizes of the differences were modest implying that there is no need on pharmacokinetic grounds for a change in the ADI for older people."	( Aspartame pharmacokinetics - the effect of ageing. Abrams, SM; Heybroek, WM; Jackson, SH; Johnston, A; Maskrey, V; Puthrasingam, S; Swift, CG; Turner, P, 1996)	0.29
" The pharmacokinetic data indicate that Z13752A administered orally is rapidly absorbed and available to the systemic circulation in humans."	( A double-blind, placebo-controlled study to assess tolerability, pharmacokinetics and preliminary pharmacodynamics of single escalating doses of Z13752A, a novel dual inhibitor of the metalloproteases ACE and NEP, in healthy volunteers. Bani, M; Colantoni, A; Guillaume, M; Macchi, F; Moroni, G; Persiani, S, 2000)	0.31
" The validity of this model was demonstrated by successfully predicting the average pharmacokinetic response for a cohort of patients who were administered BPA-F using an infusion schedule different from those used to derive the parameters of the model."	( A pharmacokinetic model for the concentration of 10B in blood after boronophenylalanine-fructose administration in humans. Busse, PM; Kiger, WS; Palmer, MR; Riley, KJ; Zamenhof, RG, 2001)	0.31
" The effects of a meal on the oral bioavailability and pharmacodynamic actions of nateglinide were investigated."	( The effect of food on the oral bioavailability and the pharmacodynamic actions of the insulinotropic agent nateglinide in healthy subjects. Dunning, BE; Karara, AH; McLeod, JF, 1999)	0.3
"These studies examined the influence of timing of administration of nateglinide on the glucose profile and beta-cell secretory response to a standardized test meal and the effect of meal composition on the pharmacokinetic and pharmacodynamic profile."	( Effects of timing of administration and meal composition on the pharmacokinetic and pharmacodynamic characteristics of the short-acting oral hypoglycemic agent nateglinide in healthy subjects. Anderson, DM; Luzio, SD; Owens, DR, 2001)	0.31
"These data indicate that concomitant administration of diclofenac with nateglinide does not significantly alter the pharmacokinetic profile of either drug."	( A 3-way crossover study to evaluate the pharmacokinetic interaction between nateglinide and diclofenac in healthy volunteers. Anderson, DM; Buraglio, M; Crick, N; Shelley, S, 2002)	0.31
" Pharmacokinetic profiles were derived from plasma warfarin and nateglinide concentrations."	( No effect of the novel antidiabetic agent nateglinide on the pharmacokinetics and anticoagulant properties of warfarin in healthy volunteers. Anderson, DM; Buraglio, M; Crick, N; Shelley, S, 2002)	0.31
" This study evaluated the pharmacokinetic profile and safety of nateglinide, an amino acid derivative that improves early phase insulin secretion and reduces mealtime glucose excursions."	( Pharmacokinetics of nateglinide in renally impaired diabetic patients. Devineni, D; Lee, JS; McLeod, JF; Prasad, P; Smith, HT; Walter, YH, 2003)	0.32
" Increasing evidence from receptor binding, mechanistic and in vitro and in vivo insulin studies indicate unique pharmacodynamic and pharmacokinetic properties with nateglinide that are distinct from those of sulphonylureas."	( The mechanisms underlying the unique pharmacodynamics of nateglinide. Boettcher, BR; Dunning, BE; Hu, S, 2003)	0.32
" Mean pharmacokinetic parameters (AUC(0-6) 10."	( Pharmacokinetics of nateglinide and its metabolites in subjects with type 2 diabetes mellitus and renal failure. Inoue, T; Itahana, R; Izumi, M; Miyagawa, K; Nakanishi, T; Shibahara, N; Takamitsu, Y, 2003)	0.32
" The pharmacokinetic and pharmacodynamic parameters of acenocoumarol were determined by noncompartmental analysis."	( The effect of nateglinide on the pharmacokinetics and pharmacodynamics of acenocoumarol. Bigler, H; Ligueros-Saylan, M; McLeod, J; Prasad, P; Smith, H; Sunkara, G; Wang, Y, 2004)	0.32
" No significant pharmacokinetic alterations occur in renally impaired patients, in the elderly, or in mildly hepatically impaired patients."	( Clinical pharmacokinetics of nateglinide: a rapidly-absorbed, short-acting insulinotropic agent. McLeod, JF, 2004)	0.32
" Pharmacokinetic parameters of nateglinide were determined following the administration of nateglinide alone, and when administered in combination with sulfinpyrazone."	( Effect of a selective CYP2C9 inhibitor on the pharmacokinetics of nateglinide in healthy subjects. Ligueros-Saylan, M; McLeod, J; Prasad, P; Sabia, H; Smith, H; Sunkara, G; Wang, Y, 2004)	0.32
" The time to reach Cmax (tmax) and the elimination half-life of nateglinide were similar between the two treatments."	( Effect of a selective CYP2C9 inhibitor on the pharmacokinetics of nateglinide in healthy subjects. Ligueros-Saylan, M; McLeod, J; Prasad, P; Sabia, H; Smith, H; Sunkara, G; Wang, Y, 2004)	0.32
" The following pharmacokinetic parameters were calculated for BH(4) in blood: t (max) = 4 h, AUC (T(0-32)) = 370 nmol x h/g Hb, and t (1/2) for absorption (1."	( Pharmacokinetics of orally administered tetrahydrobiopterin in patients with phenylalanine hydroxylase deficiency. Blau, N; Demirkol, M; Fiege, B; Fiori, L; Gärtner, KH; Giovannini, M; Ozen, I; Thöny, B; Zurflüh, MR, 2006)	0.33
" grapefruit juice) may cause pharmacokinetic interactions."	( Drug-drug and food-drug pharmacokinetic interactions with new insulinotropic agents repaglinide and nateglinide. Scheen, AJ, 2007)	0.34
" The present method was selective enough to analyze NTG in rabbit plasma without any tedious sample clean-up procedure and was successfully applied for estimating the pharmacokinetic parameters of NTG following oral administration of a single 15 mg NTG to white albino rabbits."	( Nateglinide quantification in rabbit plasma by HPLC: optimization and application to pharmacokinetic study. Mashru, RC; Sankalia, JM; Sankalia, MG; Sutariya, VB, 2007)	0.34
" The quantitation method was successfully applied for simultaneous estimation of NTG, CLZ and DCLZ in a pharmacokinetic drug-drug interaction study in Wistar rats."	( Development and validation of a liquid chromatography/tandem mass spectrometry assay for the simultaneous determination of nateglinide, cilostazol and its active metabolite 3,4-dehydro-cilostazol in Wistar rat plasma and its application to pharmacokinetic Kumar, VV; Potharaju, S; Sabapathi, SK; Satheeshmanikandan, TR; Shraddha, R; Sivakumar, SP; Sridhar, V; Varanasi, KK, 2008)	0.35
"The AUC(0-infinity) and Cmax of repaglinide were 32% (P=0."	( Effects of the SLCO1B1*1B haplotype on the pharmacokinetics and pharmacodynamics of repaglinide and nateglinide. Backman, JT; Kalliokoski, A; Neuvonen, PJ; Niemi, M, 2008)	0.35
" The objective of the current study was to characterize the pharmacokinetics and pharmacokinetic variability of sapropterin and to identify the characteristics that influence this variability."	( Pharmacokinetics of sapropterin in patients with phenylketonuria. Clarke, L; Dorenbaum, A; Feillet, F; Foehr, E; Giovannini, M; Green, B; Harmatz, P; Lipson, M; Meli, C; Morris, AA; Mould, DR, 2008)	0.35
" Blood samples for the pharmacokinetic analysis were obtained during weeks 6, 10 and 12."	( Pharmacokinetics of sapropterin in patients with phenylketonuria. Clarke, L; Dorenbaum, A; Feillet, F; Foehr, E; Giovannini, M; Green, B; Harmatz, P; Lipson, M; Meli, C; Morris, AA; Mould, DR, 2008)	0.35
" We report a positron emission tomography (PET) imaging method to estimate T/N ratio of tissue boron concentration based on pharmacokinetic analysis of amino acid probes."	( PET pharmacokinetic analysis to estimate boron concentration in tumor and brain as a guide to plan BNCT for malignant cerebral glioma. Inaji, M; Ishii, K; Ishiwata, K; Kimura, Y; Matsumura, A; Momose, T; Nariai, T; Ohno, K; Yamamoto, T, 2009)	0.35
"This paper describes results to-date from a human pharmacokinetic study which began recruitment in December 2007."	( A cancer research UK pharmacokinetic study of BPA-mannitol in patients with high grade glioma to optimise uptake parameters for clinical trials of BNCT. Boddy, A; Braithwaite, R; Chester, M; Chopra, A; Croswell, G; Cruickshank, GS; Detta, A; Doran, J; Elliot, M; Ford, S; Ghani, Z; Graham, N; Green, S; Halbert, G; Hardie, J; James, ND; Lockyer, N; Ngoga, D; Sheehan, TM; Steinfeldt, H; Sugar, R; Vickerman, J; Wojnecki, C, 2009)	0.35
" Pharmacokinetics did not differ between Pah(enu1/1) and Pah(enu1/2) indicating that the differences in pharmacodynamics were not induced by divergent pharmacokinetic behavior of BH(4)."	( New insights into tetrahydrobiopterin pharmacodynamics from Pah enu1/2, a mouse model for compound heterozygous tetrahydrobiopterin-responsive phenylalanine hydroxylase deficiency. Danecka, MK; Eichinger, A; Fingerhut, R; Gersting, SW; Glossmann, H; Lagler, FB; Muntau, AC; Staudigl, M; Steinbacher, A; Zsifkovits, C, 2010)	0.36
" We report herein the successful optimisation of the pharmacokinetic (PK) properties to afford the potent, selective, orally bioavailable and CNS penetrant compound 15f."	( Optimisation of pharmacokinetic properties to afford an orally bioavailable and selective V1A receptor antagonist. Arbuckle, W; Baker, J; Barn, D; Bingham, M; Brown, A; Buchanan, K; Craighead, M; Goodwin, R; Goutcher, S; Kiczun, M; Lyons, A; Milne, R; Montgomery, B; Napier, S; Presland, J; Sloan, H; Turnbull, Z; Wishart, G, 2011)	0.37
" The pharmacokinetic studies proved F23 ability to increase extent of FXD absorption and reduce T(max)."	( Phenylalanine-free taste-masked orodispersible tablets of fexofenadine hydrochloride: development, in vitro evaluation and in vivo estimation of the drug pharmacokinetics in healthy human volunteers. El-Ridi, MS; El-Sherif, NG; Tadros, MI; Yehia, SA, 2015)	0.42
" Ten animals were scanned for approximately 3 h to estimate the uptake of (18)F radioactivity with respect to time for the pharmacokinetic analysis."	( Pharmacokinetic analysis and uptake of 18F-FBPA-Fr after ultrasound-induced blood-brain barrier disruption for potential enhancement of boron delivery for neutron capture therapy. Chang, CW; Chang, WY; Chen, JC; Li, JJ; Wang, HE; Yang, FY, 2014)	0.4
" Furthermore, the K1/k2 pharmacokinetic ratio after intravenous injection of (18)F-FBPA-Fr with BBB-D was significantly higher than that after intravenous injection without BBB-D."	( Pharmacokinetic analysis and uptake of 18F-FBPA-Fr after ultrasound-induced blood-brain barrier disruption for potential enhancement of boron delivery for neutron capture therapy. Chang, CW; Chang, WY; Chen, JC; Li, JJ; Wang, HE; Yang, FY, 2014)	0.4
"CT7758, a carboxylate containing α4β1/α4/β7 integrin antagonist, was characterized for its pharmacokinetic profile in various in vitro and in vivo assays in support of clinical development."	( Cross-Species Differences in the Preclinical Pharmacokinetics of CT7758, an α4β1/α4β7 Integrin Antagonist. Boucaut, D; Chanteux, H; Gerin, B; Mancel, V; Nicolas, JM; Prakash, C; Staelens, L, 2015)	0.42
" The method was applied successfully to a clinical pharmacokinetic study in six healthy South Indian male subjects under fed conditions and the results were authenticated by incurred sample reanalysis."	( High sensitive LC-MS/MS method for estimation of eluxadoline in human plasma and its application to pharmacokinetic study. Dodda, S; Kandhagatla, RN; Makula, A; Polagani, SR, 2019)	0.51
" The purpose of this study was to evaluate the effect of food on the pharmacokinetic (PK) parameters and bioavailability of solriamfetol at the highest intended therapeutic dose in healthy adults and to characterize its renal excretion under fasting conditions."	( A Phase I, Randomized, Crossover, Open-label Study of the Pharmacokinetics of Solriamfetol (JZP-110) in Healthy Adult Subjects With and Without Food. Kankam, M; Lu, Y; Zomorodi, K, 2019)	0.51
" Studies with induction/titration/maintenance (I/T/M) dosing regimens demonstrated pharmacokinetic stabilization and sustained efficacy associated with maintenance doses (20, 40, or 60 mg/day)."	( Pharmacokinetic, pharmacodynamic, and immunogenic rationale for optimal dosing of pegvaliase, a PEGylated bacterial enzyme, in adult patients with phenylketonuria. Burton, BK; Gu, Z; Gupta, S; Harding, CO; Henshaw, J; Larimore, K; Li, M; Longo, N; Merilainen, M; Olbertz, J; Patel, G; Qi, Y; Schweighardt, B; Weng, HH; Zoog, SJ; Zori, R, 2021)	0.62
" Primary outcome measures were pharmacokinetic parameters of midazolam and 1-hydroxy-midazolam."	( An Open-Label Study to Evaluate the Effect of Eluxadoline on the Single-Dose Pharmacokinetics of Midazolam in Healthy Participants. Boinpally, R; Kaczynski, E; McGeeney, D; Weissman, D, 2022)	0.72

Excerpt	Reference	Relevance
" In combination with D-Phe, a dose of morphine less by half compared to its unique use does not reduce analgesic activity in rats, but after six weeks of treatment some undesirable side effects like dependence, behavioural disorders and growth retardation are markedly lowered."	( [The analgesic action of d-phenylalanine in combination with morphine or methadone]. Dove, B; Göres, E; Morgenstern, E, 1991)	0.28
" The hydrophilic region of the protein's drug binding site consists of two and possibly three acid residues which are postulated to interact with the basic center in the side chain of the major tranquillizers."	( Drug interaction with calmodulin: the binding site. Reid, RE, 1983)	0.27
"5 micrograms/ml dapsone significantly inhibited growth of MAC bacteria when used in combination with other drugs specifically acting at the mycobacterial cell-wall level."	( Activity of subinhibitory concentrations of dapsone alone and in combination with cell-wall inhibitors against Mycobacterium avium complex organisms. Goh, KS; Labrousse, V; Rastogi, N, 1993)	0.29
" The aim of this study was to determine in an open trial the efficacy and safety of treatment with khellin encapsulated in L-phenylalanine stabilized phosphatidylcholine liposomes in combination with UVA/UVB light therapy(KPLUV) in 74 subjects with vitiligo."	( A case study to evaluate the treatment of vitiligo with khellin encapsulated in L-phenylalanin stabilized phosphatidylcholine liposomes in combination with ultraviolet light therapy. de Leeuw, J; Maierhofer, G; Neugebauer, WD; van der Beek, N, )	0.13
" Thus, drug-drug interactions involving transporters can often directly affect the therapeutic safety and efficacy of many drugs."	( Food-drug interaction between ferulic acid and nateglinide involving the fluorescein/H+ cotransport system. Hirano, T; Iseki, K; Itagaki, S; Kobayashi, M; Kobayashi, Y; Kubo, S; Otsuka, Y, 2005)	0.33
"This review describes the current knowledge on drug-drug and food-drug interactions with repaglinide and nateglinide."	( Drug-drug and food-drug pharmacokinetic interactions with new insulinotropic agents repaglinide and nateglinide. Scheen, AJ, 2007)	0.34
"The aim of this work was to assess the efficacy and tolerability of nateglinide alone or in combination with metformin in elderly patients with type 2 diabetes (T2DM)."	( Nateglinide, alone or in combination with metformin, is effective and well tolerated in treatment-naïve elderly patients with type 2 diabetes. Baron, MA; Gerich, JE; Jean-Louis, L; Marcellari, A; Purkayastha, D; Schwarz, SL, 2008)	0.35
" Study 2 was a 104-week, multicentre, randomized, double blind and active-controlled study of nateglinide (120 mg, before meals) or glyburide (up to 5 mg bid) in combination with metformin (up to 1000 mg bid) in 69 treatment-naïve patients with T2DM aged >or=65 years."	( Nateglinide, alone or in combination with metformin, is effective and well tolerated in treatment-naïve elderly patients with type 2 diabetes. Baron, MA; Gerich, JE; Jean-Louis, L; Marcellari, A; Purkayastha, D; Schwarz, SL, 2008)	0.35
"Initial drug treatment with nateglinide, alone or in combination with metformin, is well tolerated and produces clinically meaningful improvements in glycaemic control in elderly patients with T2DM."	( Nateglinide, alone or in combination with metformin, is effective and well tolerated in treatment-naïve elderly patients with type 2 diabetes. Baron, MA; Gerich, JE; Jean-Louis, L; Marcellari, A; Purkayastha, D; Schwarz, SL, 2008)	0.35
" This study tested the efficacy of (131)I-IPA combined with external beam photon radiotherapy as a new therapeutic approach against gliomas."	( Efficacy of systemic radionuclide therapy with p-131I-iodo-L-phenylalanine combined with external beam photon irradiation in treating malignant gliomas. Israel, I; Kirsch, CM; Lehmann, T; Mautes, A; Reiners, C; Romeike, BF; Rübe, C; Samnick, S, 2009)	0.35
"These data convincingly demonstrated that systemic radionuclide therapy with (131)I-IPA combined with external photon radiotherapy is a safe and highly effective treatment for experimental gliomas, which may merit a clinical trial to ascertain its potential in patients with gliomas."	( Efficacy of systemic radionuclide therapy with p-131I-iodo-L-phenylalanine combined with external beam photon irradiation in treating malignant gliomas. Israel, I; Kirsch, CM; Lehmann, T; Mautes, A; Reiners, C; Romeike, BF; Rübe, C; Samnick, S, 2009)	0.35
" The peptides were also tested in combination with sublethal concentrations of antibiotic drugs (rifampicin and kanamycin) and the antimalarial drug chloroquine."	( In vitro antibacterial and antimalarial activity of dehydrophenylalanine-containing undecapeptides alone and in combination with drugs. Chauhan, VS; Kanwar, SS; Sharma, J; Sharma, SP, 2012)	0.38
"We have investigated the contributions of organic anion transporting polypeptide (OATP) 1B1 and OATP1B3 to the hepatic uptake of nateglinide, and the possibility of drug-drug interactions via these transporters."	( Contribution of organic anion transporting polypeptide (OATP) 1B1 and OATP1B3 to hepatic uptake of nateglinide, and the prediction of drug-drug interactions via these transporters. Arisaka, H; Kubo, S; Shinkai, K; Takanohashi, T; Ubukata, K, 2012)	0.38
" Inhibition studies using cryopreserved human hepatocytes were performed to examine the possibility of drug-drug interactions."	( Contribution of organic anion transporting polypeptide (OATP) 1B1 and OATP1B3 to hepatic uptake of nateglinide, and the prediction of drug-drug interactions via these transporters. Arisaka, H; Kubo, S; Shinkai, K; Takanohashi, T; Ubukata, K, 2012)	0.38
" The calculated 1 + I(in,max,u) /IC50 values for inhibition of OATP1B1 and OATP1B3 by nateglinide, and the inhibition of saturable uptake of nateglinide by ciclosporin, were all close to 1, indicating a low clinical risk of drug-drug interaction with nateglinide taken up via OATP1B1 and OATP1B3."	( Contribution of organic anion transporting polypeptide (OATP) 1B1 and OATP1B3 to hepatic uptake of nateglinide, and the prediction of drug-drug interactions via these transporters. Arisaka, H; Kubo, S; Shinkai, K; Takanohashi, T; Ubukata, K, 2012)	0.38
"OATP1B1 and OATP1B3 may have contributed to the hepatic uptake of nateglinide, but the possibility of drug-drug interactions appeared to be low."	( Contribution of organic anion transporting polypeptide (OATP) 1B1 and OATP1B3 to hepatic uptake of nateglinide, and the prediction of drug-drug interactions via these transporters. Arisaka, H; Kubo, S; Shinkai, K; Takanohashi, T; Ubukata, K, 2012)	0.38
" This open-label, prospective, multicentre, post-marketing surveillance study was conducted to investigate the efficacy and safety of nateglinide in combination with metformin in Chinese patients with type 2 diabetes (T2DM)."	( Nateglinide in combination with metformin in Chinese patients with type 2 diabetes mellitus: a post-marketing surveillance study. Wang, L; Yang, JK, 2013)	0.39
"The risk assessment of organic anion transporting polypeptide (OATP) 1B1-mediated drug-drug interactions (DDIs) is an indispensable part of drug development."	( Investigation of the impact of substrate selection on in vitro organic anion transporting polypeptide 1B1 inhibition profiles for the prediction of drug-drug interactions. Izumi, S; Komori, T; Kusuhara, H; Maeda, K; Nozaki, Y; Sugiyama, Y; Takenaka, O, 2015)	0.42
"Nitrogen source optimization combined with phased exponential L-tyrosine feeding was employed to enhance L-phenylalanine production by a tyrosine-auxotroph strain, Escherichia coli YP1617."	( Enhancement of L-phenylalanine production by engineered Escherichia coli using phased exponential L-tyrosine feeding combined with nitrogen source optimization. Cao, W; Chen, K; Li, Y; Ouyang, P; Wang, Z; Yuan, P, 2015)	0.42
" We aimed to investigate the role of peptide backbone in tuning the formation of different types of nanostructures alone or in combination with carbon nanotubes."	( Self-assembly of diphenylalanine backbone homologues and their combination with functionalized carbon nanotubes. Bianco, A; Dinesh, B; Ménard-Moyon, C; Samorì, P; Squillaci, MA, 2015)	0.42
"The effect of three amino acid coatings (L-leucine, L-valine and L-phenylalanine) on particle integrity, aerosolization properties, cellular interaction, cytocompatibility, and drug permeation properties of drug combination powder particles (beclomethasone dipropionate and salbutamol sulphate) for dry powder inhalation (DPI) was investigated."	( Drug permeation and cellular interaction of amino acid-coated drug combination powders for pulmonary delivery. Bimbo, LM; Hirvonen, J; Kauppinen, EI; Raula, J; Vartiainen, V, 2016)	0.43
" We aimed to systematically screen for drugs that interact with the five most commonly used secretagogues-glipizide, glyburide, glimepiride, repaglinide, and nateglinide-to cause serious hypoglycemia."	( Biomedical Informatics Approaches to Identifying Drug-Drug Interactions: Application to Insulin Secretagogues. Bilker, WB; Brensinger, CM; Chiang, C; Han, X; Hennessy, S; Leonard, CE; Li, L, 2017)	0.46
" We first predicted the drug-drug interaction potential based on the pharmacokinetics of each secretagogue-precipitant pair."	( Biomedical Informatics Approaches to Identifying Drug-Drug Interactions: Application to Insulin Secretagogues. Bilker, WB; Brensinger, CM; Chiang, C; Han, X; Hennessy, S; Leonard, CE; Li, L, 2017)	0.46
"We predicted 34 pharmacokinetic drug-drug interactions with the secretagogues, nine moderate and 25 weak."	( Biomedical Informatics Approaches to Identifying Drug-Drug Interactions: Application to Insulin Secretagogues. Bilker, WB; Brensinger, CM; Chiang, C; Han, X; Hennessy, S; Leonard, CE; Li, L, 2017)	0.46
"The self-controlled case series design has the potential to be widely applicable to screening for drug-drug interactions that lead to adverse outcomes identifiable in healthcare databases."	( Biomedical Informatics Approaches to Identifying Drug-Drug Interactions: Application to Insulin Secretagogues. Bilker, WB; Brensinger, CM; Chiang, C; Han, X; Hennessy, S; Leonard, CE; Li, L, 2017)	0.46
"A UHPLC-MS/MS untargeted serum metabonomic method combined with quantitative analysis of five potential biomarkers in rat serum was developed and validated, to further understand the anti-liver injury effect of Si-Ni-San and its mechanism on liver injury rats in this study."	( An integrative UHPLC-MS/MS untargeted metabonomics combined with quantitative analysis of the therapeutic mechanism of Si-Ni-San. Qin, F; Wen, J; Xiong, Z; Yang, L; Zhao, L, 2019)	0.51
" This study aimed to explore the inhibitory effect and mechanism of Aidi injection (ADI) combined with doxorubicin (DOX) in HCC treatment."	( Cell metabolomics study on synergistic anti-hepatocellular carcinoma effect of Aidi injection combined with doxorubicin. Cai, Y; Huang, Y; Li, Y; Liu, C; Liu, T; Lu, Y; Pan, J; Sun, J; Wang, K; Wang, Y; Zhu, X, 2022)	0.72
"Ultra-high-performance liquid chromatography-Q exactive orbitrap tandem mass spectrometry(UHPLC-QEOrbitrap-MS/MS) was used to explore the inhibitory effect and mechanism of ginkgo flavone aglycone(GA) combined with doxorubicin(DOX) on H22 cells."	( [Cell metabolomics study of ginkgo flavone aglycone combined with doxorubicin against liver cancer in synergy]. Chen, JY; He, Y; Li, YJ; Liu, CH; Lu, Y; Song, ZJ; Wang, YL; Zhu, XQ, 2022)	0.72
"Herein, a unique electrochemiluminescence (ECL) sensor combined with a paper electrode was proposed for the detection of phenylalanine (L-Phe) in blood samples."	( An ECL sensor combined with a paper electrode for the determination of phenylalanine. Boyaci, IH; Çalık Kayiş, E; Tamer, U; Torul, H, 2022)	0.72

Excerpt	Reference	Relevance
" Therefore, a change of the absorbing area did not contribute to the increase of the absorption rate induced by the increase of the perfusion rate."	( Rat jejunum perfused in situ: effect of perfusion rate and intraluminal radius on absorption rate and effective unstirred layer thickness. Winne, D, 1979)	0.26
" The rate of absorption of from two to six of the amino acids tested was lower in 7 of the patients than in the control subjects."	( Malabsorption of essential amino acids in tropical sprue. Corcino, JJ; Klipstein, FA, 1975)	0.25
" The absolute nasal bioavailability was calculated to be 96."	( Systemic absorption of L- and D-phenylalanine across the rat nasal mucosa. Mitra, AK; Shao, ZZ; Tengamnuay, P, 1991)	0.28
"Aspartame (L-aspartyl-L-phenylalanine methyl ester) was given in capsules or solution to compare the bioavailability of its constituent amino acids, aspartate and phenylalanine."	( Bioavailability of phenylalanine and aspartate from aspartame (20 mg/kg) in capsules and solution. Burns, TS; Hurwitz, A; Stargel, WW, 1990)	0.28
" The results of these investigations suggest that there is a biochemically significant decrease in the bioavailability of zinc when these artificial formulas are used."	( Issues in the dietary management of phenylketonuria: breast-feeding and trace-metal nutriture. McCabe, ER; McCabe, L, 1986)	0.27
"The present investigation is concerned with an improvement of the bioavailability of cinnarizine by administering its beta-cyclodextrin complex together with another compound which competes with the beta-cyclodextrin molecule in complex formation in aqueous solution (competing agent)."	( Enhancement of bioavailability of cinnarizine from its beta-cyclodextrin complex on oral administration with DL-phenylalanine as a competing agent. Kayano, M; Machida, Y; Nagai, T; Nanba, M; Tatsuishi, K; Tokumura, T; Tsushima, Y, 1986)	0.27
" In the control subjects the rate of absorption of phenylalanine from phenylalanyl-phenylalanine and of tryptophan from glycyl-tryptophan was slower than after the equivalent amount of the free amino acids."	( Intestinal absorption of two dipeptides in Hartnup disease. Asatoor, AM; Cheng, B; Edwards, KD; Lant, AF; Matthews, DM; Milne, MD; Navab, F; Richards, AJ, 1970)	0.25
" Phenylalanine and phenylalanylglycine, both poorly absorbed across the rectal membrane when administered alone, did not enhance the rectal absorption of either antibiotic."	( The effects of salicylate on the rectal absorption of phenylalanine and some peptides, and the effects of these peptides on the rectal absorption of cefoxitin and cefmetazole. Higuchi, T; Lee, CS; Nishihata, T; Rytting, JH; Yamamoto, M, 1984)	0.27
" The bioavailability of BPA in rats was improved with oral administration of the BPA-alpha-CD, G1-alpha-CD, and G2-alpha-CD complexes."	( Improved bioavailability of para-boronophenylalanine by cyclodextrin complexation. Hatanaka, H; Komada, F; Mishima, Y; Okumura, K, 1993)	0.29
"The effect on food on the bioavailability of SDZ DJN 608, a D-phenylalanine derivative, was investigated in three mature, male beagle dogs."	( Effect of food on the bioavailability of SDZ DJN 608, an oral hypoglycemic agent, from a tablet and a liquid-filled capsule in the dog. Au, S; Habucky, K; Karara, A; Labbadia, D; Tse, FL, 1996)	0.29
" No significant difference in the area under curve (AUC) was observed between LC and T, the absolute bioavailability of both being complete in the fasting state."	( Effect of food on the bioavailability of SDZ DJN 608, an oral hypoglycemic agent, from a tablet and a liquid-filled capsule in the dog. Au, S; Habucky, K; Karara, A; Labbadia, D; Tse, FL, 1996)	0.29
"Food had little effect on the absorption rate but significantly reduced the bioavailability of SDZ DJN 608 regardless of the dosage form."	( Effect of food on the bioavailability of SDZ DJN 608, an oral hypoglycemic agent, from a tablet and a liquid-filled capsule in the dog. Au, S; Habucky, K; Karara, A; Labbadia, D; Tse, FL, 1996)	0.29
" The effect of food on their bioavailability is similar."	( Modulation of insulin secretion in non-insulin-dependent diabetes mellitus by two novel oral hypoglycaemic agents, NN623 and A4166. Kikuchi, M, 1996)	0.29
"5-fold less than IGF-1, probably because its bioavailability was increased as a result of its reduced affinity for IGFBPs."	( Involvement of phenylalanine 23 in the binding of IGF-1 to the insulin and type I IGF receptor. Hodgson, DR; May, FE; Westley, BR, 1996)	0.29
"In an effort to prepare orally bioavailable analogs of our previously reported thrombin inhibitor 1, we have synthesized a series of compounds that utilize the unique amino acid D-dicyclohexylalanine as a P3 ligand."	( Potent noncovalent thrombin inhibitors that utilize the unique amino acid D-dicyclohexylalanine in the P3 position. Implications on oral bioavailability and antithrombotic efficacy. Appleby, SD; Baskin, EP; Chen, IW; Dancheck, KB; Gardell, SJ; Lewis, SD; Lucas, BJ; Lumma, WC; Lyle, EA; Lynch, JJ; Tucker, TJ; Vacca, JP; Woltmann, R, 1997)	0.3
" However, NAPAP and other benzamidine derivatives do not show favorable pharmacological properties; above all, they have very low systemic bioavailability after oral administration."	( Synthesis and structure-activity relationships of potent thrombin inhibitors: piperazides of 3-amidinophenylalanine. Hauptmann, J; Prasa, D; Stürzebecher, J; Vieweg, H; Wikström, P, 1997)	0.3
" The drug was well absorbed via the intraperitoneal route and associated with few side-effects."	( Phase I/II trial of batimastat, a matrix metalloproteinase inhibitor, in patients with malignant ascites. Parsons, SL; Steele, RJ; Watson, SA, 1997)	0.3
" Therefore, one possible mechanism accounting for the more rapid and short-lived hypoglycemic action of A-4166 in vivo, as compared with tolbutamide, may involve the reported differences in the bioavailability of A-4166."	( Insulin secretion from isolated rat islets induced by the novel hypoglycemic agent A-4166, a derivative of D-phenylalanine. Kikuchi, M; Niki, I; Oka, Y; Sakurada, M; Tsukuda, K, 1998)	0.3
" The oral bioavailability of desmopressin is limited due both to its high hydrophilicity leading to a low intestinal permeability and to low enzymatic stability."	( alpha-Chymotrypsin-catalyzed degradation of desmopressin (dDAVP): influence of pH, concentration and various cyclodextrins. Fredholt, K; Friis, GJ; Ostergaard, J; Savolainen, J, 1999)	0.3
" The hydroxamate peptidomimetic inhibitor batimastat and its orally bioavailable analogue marimastat, which bind covalently to the zinc atom at the MMP-active site, were the first MMP inhibitors to be studied in detail."	( Development of matrix metalloproteinase inhibitors in cancer therapy. Eckhardt, SG; Hidalgo, M, 2001)	0.31
" Oral bioavailability was 72%, indicating only a modest first-pass effect."	( Pharmacokinetics and metabolism of nateglinide in humans. Chin, JA; Graham, ED; Mangold, JB; McLeod, JF; Orwig, BA; Rodriguez, LC; Shapiro, MJ; Weaver, ML, 2001)	0.31
" The estimated bioavailability is 72%."	( Nateglinide. Halas, CJ, 2001)	0.31
" The effects of a meal on the oral bioavailability and pharmacodynamic actions of nateglinide were investigated."	( The effect of food on the oral bioavailability and the pharmacodynamic actions of the insulinotropic agent nateglinide in healthy subjects. Dunning, BE; Karara, AH; McLeod, JF, 1999)	0.3
" The potency of the initial lead compound (1: IC(50) alpha(4)beta(7)/alpha(4)beta(1)=5/33 microM) was optimized via sequential manipulation of substituents to generate low nM, orally bioavailable dual alpha(4)beta(1)/alpha(4)beta(7) antagonists."	( Synthesis and SAR of N-benzoyl-L-biphenylalanine derivatives: discovery of TR-14035, a dual alpha(4)beta(7)/alpha(4)beta(1) integrin antagonist. Cardarelli, PM; Connell, S; Griffith, RC; Gudmundsson, KS; Jayakumar, H; Lazarides, E; Liang, J; Mah, JR; Martin, R; Nomura, S; Nowlin, DM; Sircar, I; Teegarden, BR, 2002)	0.31
"Ro-28-2653, a selective and orally bioavailable MMPI with inhibitory activity against MMPs expressed by tumor and/or stromal cells, is a potent antitumor and antiangiogenic agent."	( Anti-invasive, antitumoral, and antiangiogenic efficacy of a pyrimidine-2,4,6-trione derivative, an orally active and selective matrix metalloproteinases inhibitor. Devy, L; Foidart, JM; Frankenne, F; Grams, F; Krell, HW; Maquoi, E; Noël, A; Olivier, F; Sounni, NE, 2004)	0.32
"To evaluate the bioavailability of nateglinide-hydroxypropyl-beta-cyclodextrin (HPCD) complex, a rapid and specific liquid chromatographic-tandem mass spectrometric method was developed and validated to determine nateglinide in rabbit serum."	( Study on the bioavailability of nateglinide-hydroxypropyl-beta-cyclodextrin complex capsule in rabbits by liquid chromatographic-tandem mass spectrometry. Chen, X; He, Z; Liu, X; Zhang, R; Zhao, C; Zhong, D, 2004)	0.32
" Vitamin C, folate, and other antioxidants enhance endothelial BH4 bioavailability through chemical stabilization or scavenging of reactive oxygen species, thereby contributing to the maintenance of physiological homeostasis in the endothelium."	( Regulation of tetrahydrobiopterin synthesis and bioavailability in endothelial cells. Hatakeyama, K; Haynes, TE; Meininger, CJ; Shi, W; Wu, G, 2004)	0.32
" These data indicate that the oral bioavailability of TR-14035 was limited due to significant first-pass metabolism and biliary excretion in the liver."	( Pharmacokinetics and metabolism of TR-14035, a novel antagonist of a4ss1/a4ss7 integrin mediated cell adhesion, in rat and dog. Kume, T; Ogasawara, Y; Tsuda-Tsukimoto, M, 2005)	0.33
" Growth assays to determine amino acid bioavailability are expensive and laborious; thus, a rapid method is needed."	( Development of the indicator amino acid oxidation technique to determine the availability of amino acids from dietary protein in pigs. Ball, RO; Bertolo, RF; Moehn, S; Pencharz, PB, 2005)	0.33
" The pharmacokinetic properties of selected members of the series have been determined in rats and demonstrate that the use of ester prodrugs and alterations to the amide linkage can lead to improved oral bioavailability in this series."	( Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists. Andrade-Gordon, P; Ballentine, SA; Barbay, JK; Damiano, BP; Dyatkin, AB; Fisher, MC; Gong, Y; Hageman, WE; He, W; Hlasta, DJ; Hornby, PJ; Kimball, ES; Maryanoff, BE; Masucci, JA; Miskowski, TA; Prouty, SM; Santulli, RJ; Schneider, CR; Wallace, NH, 2006)	0.33
"3 nM) with excellent selectivity, oral bioavailability in preclinical species, and in vivo efficacy in animal models."	( (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]-pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. Beconi, M; Di Salvo, J; Edmondson, SD; Eiermann, GJ; Harper, B; He, H; He, J; Leiting, B; Leone, JF; Levorse, DA; Lyons, K; Mastracchio, A; Mathvink, RJ; Park, YJ; Patel, RA; Patel, SB; Petrov, A; Roy, RS; Scapin, G; Shang, J; Smith, A; Thornberry, NA; Weber, AE; Wu, JK; Xu, S; Zhu, B, 2006)	0.33
" Two prodrugs (3 and 4) created by conjugating ethylene glycol-linked amino acids (L-Val, L-Phe) with the cyclic form of cidofovir (cHPMPC) via a P-O ester bond were synthesized and their pH-dependent stability (3 and 4), potential for in vivo reconversion to drug (3), and oral bioavailability (3) were evaluated."	( Synthesis and biological activation of an ethylene glycol-linked amino acid conjugate of cyclic cidofovir. Borysko, KZ; Breitenbach, JM; Drach, JC; Eriksson, U; Hilfinger, JM; Kashemirov, BA; Kijek, P; Kim, JS; McKenna, CE; Mitchell, S, 2007)	0.34
" The meal-related timing of administration of glinides and the potential influence of food and meal composition on their bioavailability may be important."	( Drug-drug and food-drug pharmacokinetic interactions with new insulinotropic agents repaglinide and nateglinide. Scheen, AJ, 2007)	0.34
" Oral bioavailability of gabapentin was not affected by OCTN1 genotype."	( Effects of genetic variation in the novel organic cation transporter, OCTN1, on the renal clearance of gabapentin. Brett, CM; Brown, C; Burchard, EG; Castro, RA; Giacomini, KM; Huang, Y; Mercer, R; Shah, N; Urban, TJ, 2008)	0.35
" A correlation between bioavailability and permeability was also explored."	( Synthesis and SAR of pyridazinone-substituted phenylalanine amide alpha4 integrin antagonists. Carolyn Fisher, M; Dyatkin, AB; Gong, Y; He, W; Hornby, PJ; Kent Barbay, J; Kimball, ES; Miskowski, TA; Santulli, RJ, 2008)	0.35
" CHR-2797 is orally bioavailable and currently undergoing phase II clinical investigation in the treatment of myeloid leukemia."	( CHR-2797: an antiproliferative aminopeptidase inhibitor that leads to amino acid deprivation in human leukemic cells. Ayscough, A; Bawden, LJ; Bone, EA; Box, G; Callaghan, J; Chandler, S; Clark, VL; Drummond, AH; Eccles, SA; Farmer, H; Flores, N; Kirwin-Jones, P; Krige, D; Laber, D; Legris, V; Miles, LE; Needham, LA; Odedra, R; Owen, J; Patel, T; Stone, E; Wood, LM; Wood, S; Wright, A, 2008)	0.35
"In a prospectively planned analysis, the apparent clearance, apparent volume of distribution, absorption rate constant and associated interindividual variabilities of each parameter were estimated by modelling observed BH4 plasma concentration-time data."	( Pharmacokinetics of sapropterin in patients with phenylketonuria. Clarke, L; Dorenbaum, A; Feillet, F; Foehr, E; Giovannini, M; Green, B; Harmatz, P; Lipson, M; Meli, C; Morris, AA; Mould, DR, 2008)	0.35
"We synthesized the chromium (phenylalanine)(3) [Cr(D-phe)(3)] by chelating chromium(III) with D-phenylalanine ligand in aqueous solution to improve the bioavailability of chromium, and reported that Cr(D-phe)(3) improved insulin sensitivity."	( A newly synthetic chromium complex-chromium (D-phenylalanine)3 activates AMP-activated protein kinase and stimulates glucose transport. Dolence, EK; He, L; Li, J; Ma, H; Nair, S; Ren, J; Tong, C; Wang, J; Wang, Z; Xiao, Y; Zhao, P; Zheng, Q, 2009)	0.35
" An in vivo single oral administration study using normal beagle dogs showed the bioavailability value of the obtained nateglinide dry coated tablets against nateglinide immediate release tablets was 73."	( Design of nateglinide controlled release tablet containing erosion matrix tablet and multiple administration study in normal beagle dogs. Makino, C; Okano, A; Sakai, H; Yabuki, A, 2009)	0.35
"Although considerably less potent than specified DPP-IV inhibitors, the possibility that some of the beneficial actions of nateglinide are indirectly mediated through DPP-IV inhibition and increased bioavailability of GIP and other incretins merits consideration."	( Insulinotropic actions of nateglinide in type 2 diabetic patients and effects on dipeptidyl peptidase-IV activity and glucose-dependent insulinotropic polypeptide degradation. Bell, PM; Duffy, NA; Flatt, PR; Green, BD; Lindsay, JR; McKillop, AM; O'Harte, FP; Patterson, S, 2009)	0.35
" To improve the bioavailability of the dopamine prodrug, 2-amino-N-[2-(3,4-dihydroxy-phenyl)-ethyl]-3-phenyl-propionamide (DOPH), it was encapsulated in unilamellar liposomes of dimiristoylphosphatidylcholine (DMPC) and cholesterol."	( Potential dopamine prodrug-loaded liposomes: preparation, characterization, and in vitro stability studies. Carafa, M; De Caro, V; Di Marzio, L; Giandalia, G; Giannola, LI; Marianecci, C; Santucci, E, 2010)	0.36
" The caveolar coordination of P120ctn, more specifically its interaction with E-cadherin plays a major role in normal endothelial P120ctn activity and vascular bioavailability of nitric oxide."	( The influence of exon 7 Phe389Leu polymorphism on P120 catenin interactions with E-cadherin and three-dimensional model rebuilt. Fei, Y; Hu, J; Liu, SL; Liu, XS; Ma, DW; Wang, F, 2009)	0.35
" One promising therapeutic approach is to identify drugs that have been developed for other indications but that also correct the CFTR trafficking defect, thereby exploiting their known safety and bioavailability in humans and reducing the time required for clinical development."	( Correction of the Delta phe508 cystic fibrosis transmembrane conductance regulator trafficking defect by the bioavailable compound glafenine. Balghi, H; Carlile, GW; de Jonge, HR; Hanrahan, JW; Kus, B; Lesimple, P; Liao, J; Liu, N; Robert, R; Rotin, D; Scholte, BJ; Thomas, DY; Wilke, M, 2010)	0.36
" Lipoic acid (LA) is considered a potent antioxidant which is well absorbed from diet and can easily cross the blood-brain barrier."	( Lipoic acid prevents oxidative stress in vitro and in vivo by an acute hyperphenylalaninemia chemically-induced in rat brain. Coelho, J; da Rosa, A; de Oliveira, A; Dutra-Filho, CS; Moraes, TB; Petrillo, F; Wajner, M; Zanin, F, 2010)	0.36
"Because issues of cost and bioavailability have hampered the development of gene-encoded antimicrobial peptides to combat infectious diseases, short linear peptides with high microbial cell selectivity have been recently considered as antibiotic substitutes."	( Temporin-SHf, a new type of phe-rich and hydrophobic ultrashort antimicrobial peptide. Abbassi, F; Foulon, T; Goasdoué, N; Ladram, A; Lequin, O; Nicolas, P; Piesse, C, 2010)	0.36
"The previously described lead compound 5 is a potent and selective V(1A) antagonist with affinity at both the rat and human receptor, but displays poor oral bioavailability and moderate clearance."	( Optimisation of pharmacokinetic properties to afford an orally bioavailable and selective V1A receptor antagonist. Arbuckle, W; Baker, J; Barn, D; Bingham, M; Brown, A; Buchanan, K; Craighead, M; Goodwin, R; Goutcher, S; Kiczun, M; Lyons, A; Milne, R; Montgomery, B; Napier, S; Presland, J; Sloan, H; Turnbull, Z; Wishart, G, 2011)	0.37
"To meet the requirements for marketing a new generic product, this study was designed to compare the pharmacokinetic parameters and relative fasting bioavailability of new generic (test) formulation of nateglinide with the reference formulation of nateglinide in healthy Chinese male volunteers."	( Relative fasting bioavailability of two formulations of nateglinide 60 mg in healthy male Chinese volunteers: an open-label, randomized-sequence, single-dose, two-way crossover study. Chen, J; Hu, Y; Ma, J; Yu, C; Yuan, L; Zhang, Q; Zhu, Y; Zou, J, 2012)	0.38
" The relative bioavailability of the test formulation was estimated to be 102."	( Relative fasting bioavailability of two formulations of nateglinide 60 mg in healthy male Chinese volunteers: an open-label, randomized-sequence, single-dose, two-way crossover study. Chen, J; Hu, Y; Ma, J; Yu, C; Yuan, L; Zhang, Q; Zhu, Y; Zou, J, 2012)	0.38
" By inhibiting the metabolism of drugs, piperine improves the bioavailability of drugs."	( Effect of piperine on antihyperglycemic activity and pharmacokinetic profile of nateglinide. Bommineni, MR; Mullangi, R; Nadipelli, M; Sama, V; Yenumula, P, 2012)	0.38
" For a more rational discussion on beneficial as well as toxic effects of Cr(III), we re-investigated the bioavailability of the most important oral Cr supplements by using radiolabeled compounds and whole-body-counting in rats and in the first time also in humans."	( Bioavailability of chromium(III)-supplements in rats and humans. Dresow, B; Fischer, R; Freund, B; Kottwitz, K; Laschinsky, N; Nielsen, P, 2012)	0.38
"Fexofenadine hydrochloride (FXD) is a slightly soluble, bitter-tasting, drug having an oral bioavailability of 35%."	( Phenylalanine-free taste-masked orodispersible tablets of fexofenadine hydrochloride: development, in vitro evaluation and in vivo estimation of the drug pharmacokinetics in healthy human volunteers. El-Ridi, MS; El-Sherif, NG; Tadros, MI; Yehia, SA, 2015)	0.42
" To evaluate the bioavailability of nateglinide proniosome, a rapid, simple and sensitive HPLC method with photodiode array detection was developed and validated to determine nateglinide in rabbit plasma."	( Maltodextrin based proniosomes of nateglinide: bioavailability assessment. Biswas, N; Guha, A; Kuotsu, K; Sahoo, RK, 2014)	0.4
" The aim of this study is to investigate if erythrocytes loaded with PAL may act as a safe delivery system able to overcome bioavailability issues and to provide, in vivo, a therapeutically relevant concentration of enzyme."	( Erythrocyte-mediated delivery of phenylalanine ammonia lyase for the treatment of phenylketonuria in BTBR-Pah(enu2) mice. Bell, SM; Canonico, B; Carducci, C; Fitzpatrick, PA; Gabucci, C; Leuzzi, V; Magnani, M; Pascucci, T; Pierigè, F; Rossi, L, 2014)	0.4
" As a consequence, Indian women had lower arginine bioavailability (μmol · kg FFM⁻¹ · h⁻¹) in the fasting state (42."	( Indian women of childbearing age do not metabolically conserve arginine as do American and Jamaican women. Badaloo, A; Baker, TM; Bohren, KM; Dwarkanath, P; Hsu, JW; Jahoor, F; Kao, CC; Karnes, JM; Kurpad, AV; Thame, MM, 2015)	0.42
" Thus, PA-SLN improved the EFV bioavailability and maintained therapeutic levels in the brain for an extended period of time that can result in significant eradication of the viral load therein."	( Targeting of AIDS related encephalopathy using phenylalanine anchored lipidic nanocarrier. Hurkat, P; Jain, A; Jain, SK; Vyas, A, 2015)	0.42
" Therefore, orally bioavailable pharmacological activators of endogenous BH4 biosynthesis hold significant therapeutic potential."	( Validating the GTP-cyclohydrolase 1-feedback regulatory complex as a therapeutic target using biophysical and in vivo approaches. Brown, PR; Channon, KM; Heikal, L; Hussein, D; McDonnell, JM; McNeill, E; Nandi, M; Starr, A; Sutton, BJ, 2015)	0.42
" The oral bioavailability of Phe-Ψ-Ala in the presence and absence of MFLX was 41."	( Possible interaction of quinolone antibiotics with peptide transporter 1 in oral absorption of peptide-mimetic drugs. Arakawa, H; Hatano, Y; Idota, Y; Kamioka, H; Kanagawa, M; Morimoto, K; Ogihara, T; Yano, K, 2016)	0.43
"Alkaline phosphatase (AP) and ecto-5'-nucleotidase (e5'NT) belong to same family that hydrolyze the extracellular nucleotides and ensure the bioavailability of nucleotides and nucleosides at purinergic receptors."	( Synthesis, characterization and biological evaluation of novel chalcone sulfonamide hybrids as potent intestinal alkaline phosphatase inhibitors. Ejaz, SA; Iqbal, J; Khan, S; Lecka, J; Nisa, ZU; Saeed, A; Sévigny, J; Siddique, MN, 2017)	0.46
" The purpose of study was to increase dissolution and bioavailability of Nateglinide by development of its microenvironmental pH-regulated ternary solid dispersion (MeSD)."	( Enhanced dissolution and bioavailability of Nateglinide by microenvironmental pH-regulated ternary solid dispersion: in-vitro and in-vivo evaluation. Gaud, R; Jadhav, N; Wairkar, S, 2017)	0.46
" Instead of mere transformation of the Nateglinide to its amorphous form as evidenced by DSC and XRPD, formation of a soluble carboxylate compound of Nateglinide in MeSD was predominantly responsible for dissolution and bioavailability enhancement."	( Enhanced dissolution and bioavailability of Nateglinide by microenvironmental pH-regulated ternary solid dispersion: in-vitro and in-vivo evaluation. Gaud, R; Jadhav, N; Wairkar, S, 2017)	0.46
"This study was undertaken to improve solubility and bioavailability of nateglinide by preparation of stable self-emulsifying solid dispersions (SESDs)."	( Effect of semicrystalline polymers on self-emulsifying solid dispersions of nateglinide: in vitro and in vivo evaluation. Subudhi, BB; Swain, RP, 2018)	0.48
" The purpose of this study was to evaluate the effect of food on the pharmacokinetic (PK) parameters and bioavailability of solriamfetol at the highest intended therapeutic dose in healthy adults and to characterize its renal excretion under fasting conditions."	( A Phase I, Randomized, Crossover, Open-label Study of the Pharmacokinetics of Solriamfetol (JZP-110) in Healthy Adult Subjects With and Without Food. Kankam, M; Lu, Y; Zomorodi, K, 2019)	0.51
"Solriamfetol relative bioavailability was bioequivalent in the fed and fasted conditions, showing that solriamfetol can be taken without regard to meals; furthermore, tolerability was similar in both conditions."	( A Phase I, Randomized, Crossover, Open-label Study of the Pharmacokinetics of Solriamfetol (JZP-110) in Healthy Adult Subjects With and Without Food. Kankam, M; Lu, Y; Zomorodi, K, 2019)	0.51
" However, knowledge of lysine bioavailability in sorghum is lacking."	( Bioavailable Lysine Assessed Using the Indicator Amino Acid Oxidation Method in Healthy Young Males is High when Sorghum is Cooked by a Moist Cooking Method. Ball, RO; Courtney-Martin, G; Elango, R; Fakiha, A; Kong, D; Levesque, CL; Paoletti, A; Pencharz, PB; Tul-Noor, Z, 2022)	0.72
"The study objectives were to determine the bioavailability of lysine in sorghum and to assess the effect of complementation of sorghum and lentils in a mixed-meal format."	( Bioavailable Lysine Assessed Using the Indicator Amino Acid Oxidation Method in Healthy Young Males is High when Sorghum is Cooked by a Moist Cooking Method. Ball, RO; Courtney-Martin, G; Elango, R; Fakiha, A; Kong, D; Levesque, CL; Paoletti, A; Pencharz, PB; Tul-Noor, Z, 2022)	0.72
" The bioavailability of lysine in sorghum was estimated by comparing the IAAO response to the test diet with the IAAO response to the reference diet using the slope-ratio method."	( Bioavailable Lysine Assessed Using the Indicator Amino Acid Oxidation Method in Healthy Young Males is High when Sorghum is Cooked by a Moist Cooking Method. Ball, RO; Courtney-Martin, G; Elango, R; Fakiha, A; Kong, D; Levesque, CL; Paoletti, A; Pencharz, PB; Tul-Noor, Z, 2022)	0.72
"The bioavailability of lysine from sorghum was 94%."	( Bioavailable Lysine Assessed Using the Indicator Amino Acid Oxidation Method in Healthy Young Males is High when Sorghum is Cooked by a Moist Cooking Method. Ball, RO; Courtney-Martin, G; Elango, R; Fakiha, A; Kong, D; Levesque, CL; Paoletti, A; Pencharz, PB; Tul-Noor, Z, 2022)	0.72
"Although the bioavailability of lysine in sorghum is high, its lysine content is limiting."	( Bioavailable Lysine Assessed Using the Indicator Amino Acid Oxidation Method in Healthy Young Males is High when Sorghum is Cooked by a Moist Cooking Method. Ball, RO; Courtney-Martin, G; Elango, R; Fakiha, A; Kong, D; Levesque, CL; Paoletti, A; Pencharz, PB; Tul-Noor, Z, 2022)	0.72
" Therefore, it is challenging and imperative to monitor intracellular phenylalanine bioavailability in real time, which has great significance for evaluating the effectiveness of introducing pathway-specific genetic modifications to enhance phenylalanine generation."	( A codon-based live-cell biomonitoring system for assessing intracellular phenylalanine bioavailability in cyanobacteria. Cao, X; Fu, Y; Ge, W; Huo, Y; Jin, H; Jing, Y; Wang, Y; Zhang, J, 2024)	1.44
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Excerpt	Relevance	Reference
" Individuals were randomly assigned in a double-blind design to aspartame or sucrose in each of five age groups; dosage levels were assigned according to age and weight groups."	( Use of aspartame by apparently healthy children and adolescents. Frey, GH, 1976)	0.26
" Hypophenylalaninemia was unexplained, and failed to respond to increased phenylpyruvate dosage or phenylalanine itself; renal clearance of phenylalanine was high but could not account for the low plasma level."	( Long-term management of a case of carbamyl phosphate synthetase deficiency using ketanalogues and hydroxyanalogues of essential amino acids. Batshaw, ML; Brusilow, S; Walser, M, 1976)	0.26
" After 72 hr of fasting the incorporation into (pro)insulin was decreased both at glucose 1 and 3 mg/ml and the slope of the dose-response curve for glucose stimulation was reduced by 31%."	( Effect of fasting on the incorporation of [3H]-L-phenylalanine into proinsulin-insulin and total protein in isolated rat pancreatic islets. Bouman, PR; Tjioe, TO, 1976)	0.26
" This observation can be interpreted as indication that within this dosage range there is an absence of morphine-like subjective effects."	( Analogs of the delta opioid receptor selective cyclic peptide [2-D-penicillamine,5-D-penicillamine]-enkephalin: 2',6'-dimethyltyrosine and Gly3-Phe4 amide bond isostere substitutions. Anthony, E; Beardsley, PM; Chandrakumar, NS; Drury, B; Lopez, OT; Reichman, M; Savage, MA; Stapelfeld, A; Williamson, LN, 1992)	0.28
" Maximal plasma PHE and TYR concentrations were observed within 1 h after dosing and returned to baseline within 4-8 h in both species regardless of the dose of APM."	( Plasma concentrations and pharmacokinetics of phenylalanine in rats and mice administered aspartame. Brisson, J; Dickie, BC; Dudley, RE; Hjelle, JJ; Kotsonis, FN; Marietta, MP; Sanders, PG, 1992)	0.28
" However, the dose-response curve of insulin-stimulated thymidine incorporation in CHO-F/Y CT2 was shifted to the left (approximately 5-7-fold) compared with that in CHO-HIR."	( Enhanced insulin-induced mitogenesis and mitogen-activated protein kinase activities in mutant insulin receptors with substitution of two COOH-terminal tyrosine autophosphorylation sites by phenylalanine. Akanuma, Y; Ando, A; Kaburagi, Y; Koshio, O; Momomura, K; Sakura, H; Tamori, Y; Tobe, K; Yamamoto-Honda, R; Yazaki, Y, 1992)	0.28
" Sprague-Dawley male rats (250-300 g) were dosed orally with aspartame (500 or 1000 mg/kg), phenylalanine (281 or 562 mg/kg), or tyrosine (309 or 618 mg/kg), and their behavior was analyzed 1 hr after dosing."	( No change in spontaneous behavior of rats after acute oral doses of aspartame, phenylalanine, and tyrosine. Kernan, WJ; Mullenix, PJ; Schunior, A; Tassinari, MS, 1991)	0.28
" hLIF also stimulated incorporation of [3H] thymidine into calvaria, but the dose-response relationship was distinct from that for bone resorption, and this effect was not blocked by indomethacin."	( Leukemia inhibitory factor: a novel bone-active cytokine. Cornish, J; Gearing, DP; Hilton, DJ; Lowe, C; Martin, TJ; Reid, LR; Skinner, SJ; Willson, TA, 1990)	0.28
" Thus, given the small effect on phenylalanine Cmax and Phe/LNAA and no effect on the extent of absorption of phenylalanine, aspartame ingested in capsules at doses up to 20 mg/kg is a suitable dosage form for blinded clinical studies, provided that the slower rate of absorption of phenylalanine from capsules is taken into account."	( Bioavailability of phenylalanine and aspartate from aspartame (20 mg/kg) in capsules and solution. Burns, TS; Hurwitz, A; Stargel, WW, 1990)	0.28
" Memory was tested at 2 and 24 hours after dosage based on recall of standardized 16-item word lists."	( The neuropsychiatric effects of aspartame in normal volunteers. Goddard, JE; Greenblatt, DJ; Harmatz, JS; Lapierre, KA; Shader, RI, 1990)	0.28
" To determine which enzymes were responsible for generating these initial metabolites, animals were first dosed with various protease inhibitors before the infusion of [14C]ANP(103-126)."	( In vivo metabolism of atrial natriuretic peptide: identification of plasma metabolites and enzymes responsible for their generation. Durley, RC; Krieter, PA; Olins, GM; Verrett, SP, 1989)	0.28
" Data from these studies are in general agreement that aspartame at dosage levels below 1,000 mg/kg, or phenylalanine at equimolar doses, is without an effect on seizure susceptibility in animals."	( Pharmacological effects of phenylalanine on seizure susceptibility: an overview. Sze, PY, 1989)	0.28
" In the high dosage group depletions mainly of the branched-chain amino acids and lysine occurred in serum and brain, whereas the concentrations of methionine and tryptophan were increased."	( Biochemical and developmental features of experimental phenylketonuria induced by L-ethionine in suckling rats. Gehrmann, J; Neuhoff, V; Schott, K, 1989)	0.28
" Cell survival dose-response curves, for cells preincubated in the presence or absence of p-boronophenylalanine."	( Neutron irradiation of human melanoma cells. Allen, BJ; Brown, K; Ichihashi, M; Mishima, Y; Mountford, MH; Parsons, P, )	0.13
" The high mean plasma phenylalanine level after repeated APM dosing (13."	( Repeated ingestion of aspartame-sweetened beverage: effect on plasma amino acid concentrations in individuals heterozygous for phenylketonuria. Baker, GL; Bell, EF; Brummel, MC; Filer, LJ; Krause, WL; Stegink, LD; Ziegler, EE, 1989)	0.28
" Both analogs shifted the hANP-(1-28) dose-response curve to the left."	( Atrial natriuretic peptides: the role of phenylalanine on biological activity. Craven, TG; Kem, DC; Schiebinger, RJ, 1988)	0.27
" Heterozygotes have 20%-50% of normal PTS activity (enzyme phenotype), a finding compatible with a range of gene dosage effects, some abnormal."	( Hyperphenylalaninemia due to deficiency of 6-pyruvoyl tetrahydropterin synthase. Unusual gene dosage effect in heterozygotes. Clow, CL; Kaplan, P; Niederwieser, A; Scriver, CR, 1987)	0.27
" In the high dosage ethionine group, for instance, concentrations of Ala, Gly, Ser, Met, and Phe were increased whereas concentrations of Lys, Asp, and Pro were decreased."	( Induction of hyperphenylalaninemia in mice by ethionine and phenylalanine. Gehrmann, J; Neuhoff, V; Schott, K, 1986)	0.27
" The content of high-tyrosine proteins in wool was still depressed in most sheep 70 days after dosing with methoxinine."	( Effects of phenylalanine and analogues of methionine and phenylalanine on the composition of wool and mouse hair. Gillespie, JM; Reis, PJ, 1985)	0.27
" The dose-response curve shows that comparable amounts of interferon are required to produce a 50% reduction of Mengo virus multiplication in vivo and Mengo RNA translation in vitro."	( Correlation between the antiviral effect of interferon treatment and the inhibition of in vitro mRNA translation in noninfected L cells. Falcoff, E; Falcoff, R; Lebleu, B; Revel, M, 1973)	0.25
"" The precision of the method derives from a direct comparison between the cumulative dose-response curve of an agonist of unknown potency acting on one hemibladder and that of a reference compound acting on the contralateral hemibladder."	( A sensitive hydroosmotic toad bladder assay. Affinity and intrinsic activity of neurohypophyseal peptides. Eggena, P; Schwartz, IL; Walter, R, 1968)	0.25
" Aspartame dosing significantly increased both the mean peak plasma phenylalanine concentration and the plasma phenylalanine AUC value in proportion to dose."	( Effect of aspartame loading on plasma and erythrocyte free amino acid concentrations in one-year-old infants. Baker, GL; Filer, LJ; Stegink, LD, 1983)	0.27
" The assembly of the mutant c-subunit requires an increased gene dosage [Jans, Fimmel, Langman, James, Downie, Senior, Ash, Gibson & Cox (1983) Biochem."	( Oxidative phosphorylation by mutant Escherichia coli membranes with impaired proton permeability. Cox, GB; Fimmel, AL; Gibson, F; Jans, DA; Langman, L; Senior, AE, 1983)	0.27
"01 M tryptophan shifted the dose-response curve to the left and resulted in a significantly greater response than to either amino acid alone."	( Intravenous infusion of L-isomers of phenylalanine and tryptophan stimulate gastric acid secretion at physiologic plasma concentrations in normal subjects and after parietal cell vagotomy. Dreier, SJ; Hogan, DL; Isenberg, JI; McArthur, KE, 1983)	0.27
" The L1210-responding BALB/c host when phenylalanine-restricted required a 2- to 3-fold increase in dosage of whole body irradiation in order to succumb to the tumor."	( Improved host defense against L1210 leukemia by deprivation of dietary phenylalanine. Pine, MJ, 1981)	0.26
" On doubling the dosage of PHE, body and brain weights and myelin yields were significantly lowered."	( Effects of alpha-methylphenylalanine plus phenylalanine treatment during development on myelin in rat brain. Johnson, RC; Shah, SN, 1980)	0.26
" At each position, distinct features of side chain structure dominated the dose-response relation, probably by governing the agonist-receptor binding."	( Nicotinic receptor binding site probed with unnatural amino acid incorporation in intact cells. Abelson, JN; Davidson, N; Kearney, PC; Labarca, CG; Nowak, MW; Saks, ME; Sampson, JR; Silverman, SK; Thorson, J; Zhong, W, 1995)	0.29
"5 micrograms/g) after oral dosing with BPA."	( Response of rat skin to boron neutron capture therapy with p-boronophenylalanine or borocaptate sodium. Coderre, JA; Hopewell, JW; Micca, PL; Morris, GM; Rezvani, M, 1994)	0.29
"Acute dosing studies of aspartame, known commercially as "NutraSweet," have failed to demonstrate any neuropsychological changes that would imply performance decrements in flight operations."	( Effects of alcohol and chronic aspartame ingestion upon performance in aviation relevant cognitive tasks. Banich, MT; Belger, A; Bernadine, E; Stokes, AF, 1994)	0.29
"This study was undertaken to develop an oral dosage form for para-boronophenylalanine (BPA) plus cyclodextrin (CD) for use in the thermal neutron capture therapy for malignant melanoma."	( Improved bioavailability of para-boronophenylalanine by cyclodextrin complexation. Hatanaka, H; Komada, F; Mishima, Y; Okumura, K, 1993)	0.29
" Clinical phenotype and/or myelin impairment may be determined both by the type of mutation and by the dosage of mutated gene."	( A novel homozygous mutation of the myelin Po gene producing Dejerine-Sottas disease (hereditary motor and sensory neuropathy type III). Hayasaka, K; Ikeda, H; Ikegami, T; Ishida, A; Johnston, H; Nicholson, G; Ouvrier, R; Wise, G, 1996)	0.29
"Food had little effect on the absorption rate but significantly reduced the bioavailability of SDZ DJN 608 regardless of the dosage form."	( Effect of food on the bioavailability of SDZ DJN 608, an oral hypoglycemic agent, from a tablet and a liquid-filled capsule in the dog. Au, S; Habucky, K; Karara, A; Labbadia, D; Tse, FL, 1996)	0.29
"Cin-Phe derivative preparations with dosage form design, such as enteric coating form, may become feasible in diabetic patients."	( [Hypoglycemic effect and enhanced gastrointestinal absorption of insulin using new cinnamoyl-phenylalanine derivatives]. Fukushima, K, 1996)	0.29
" This therapy is based upon targeting a prodrug-activating enzyme to a tumor by attaching the enzyme to a tumor-selective antibody and dosing the enzyme-antibody conjugate systemically."	( Toward antibody-directed enzyme prodrug therapy with the T268G mutant of human carboxypeptidase A1 and novel in vivo stable prodrugs of methotrexate. Banks, S; Blumenkopf, TA; Cory, M; Humphreys, J; Laethem, RM; Miller, J; Moxham, CP; Mullin, R; Ray, PH; Smith, GK; Walton, LM; Wolfe, LA, 1997)	0.3
" The dose-response curve for RB 101 was shifted to the left and the duration of reflex depression was significantly prolonged."	( CI 988, an antagonist of the cholecystokinin-B receptor, potentiates endogenous opioid-mediated antinociception at spinal level. Elfvin, A; Fournié-Zaluski, MC; Hao, JX; Roques, BP; Wiesenfeld-Hallin, Z; Xu, XJ, 1997)	0.3
" In competitive inhibition experiments, all the analogues caused a right shift of the glucagon-stimulated adenylate cyclase dose-response curve."	( The role of phenylalanine at position 6 in glucagon's mechanism of biological action: multiple replacement analogues of glucagon. Ahn, JM; Azizeh, BY; Caspari, R; Hruby, VJ; Shenderovich, MD; Trivedi, D, 1997)	0.3
" Thus IFN-gamma is cytotoxic to ovarian epithelial cells in vivo and intensive locoregional dosing over short periods is effective."	( Interferon gamma induces cell cycle arrest and apoptosis in a model of ovarian cancer: enhancement of effect by batimastat. Balkwill, FR; Burke, F; East, N; Patel, K; Upton, C, 1997)	0.3
" Phenylalanine oxidation rates demonstrated a gene dosage effect; oxidation in heterozygotes was intermediate between probands and controls."	( Analysis of phenylalanine hydroxylase genotypes and hyperphenylalaninemia phenotypes using L-[1-13C]phenylalanine oxidation rates in vivo: a pilot study. Carter, K; Delente, JJ; Elkas, G; Lambert, M; Scriver, CR; Treacy, EP; Waters, PJ, 1997)	0.3
" The dose-response curve of the insulin secretion to glucose was shifted to the left side by AY-4166."	( Ay-4166 increases the sensitivity of insulin secretion to glucose in isolated perfused rat pancreas. Mokuda, O; Morimoto, S; Sakamoto, Y, 1998)	0.3
" Next, a suitable dosage to give a short peak time (the time expressed in minutes at which 13CO2 excretion is maximal) after administration was determined."	( Optimum conditions for the 13C-phenylalanine breath test. Higuchi, T; Iida, K; Ishii, T; Kajiwara, M; Naruse, H; Ohshima, A; Takatori, K, 1998)	0.3
" We describe (i) an efficient recombinant approach to produce PAL enzyme, (ii) testing of PAL in orthologous N-ethyl-N'-nitrosourea (ENU) mutant mouse strains with HPA, and (iii) proofs of principle (PAL reduces HPA)-both pharmacologic (with a clear dose-response effect vs."	( A different approach to treatment of phenylketonuria: phenylalanine degradation with recombinant phenylalanine ammonia lyase. Blain, F; Chang, TM; Heft, R; Peevers, R; Sarkissian, CN; Scriver, CR; Shao, Z; Su, H, 1999)	0.3
" Once DeltaF508-CFTR channels were maximally activated with PKA, the mutant channel and WT channel had indistinguishable steady-state Po values, ATP dose-response relationships and single-channel kinetics, indicating that DeltaF508-CFTR is not defective in ATP-dependent gating."	( Deletion of phenylalanine 508 causes attenuated phosphorylation-dependent activation of CFTR chloride channels. Hu, S; Hwang, TC; Wang, F; Zeltwanger, S, 2000)	0.31
" Thirty-two reports (29 studies) evaluated adverse effects of drug therapy; many of the side effects associated with stimulant use appear to be relatively mild and of short duration and to respond to dosing or timing adjustments."	( Treatment of attention-deficit/hyperactivity disorder. Boyle, M; Cunningham, C; Jadad, AR; Kim, M; Schachar, R, 1999)	0.3
"Various studies have indicated that acute ethanol dosage perturbs cardiac function and/or structure with concomitant reductions in protein synthesis."	( Alcohol-induced reductions in cardiac protein synthesis in vivo are not ameliorated by treatment with the dihydropyridine calcium channel blocker amlodipine. Patel, VB; Preedy, VR; Richardson, PJ; Siddiq, T, 2000)	0.31
" Acute alcohol dosage reduced cardiac protein synthesis in mixed, myofibrillary, and sarcoplasmic protein fractions."	( Alcohol-induced reductions in cardiac protein synthesis in vivo are not ameliorated by treatment with the dihydropyridine calcium channel blocker amlodipine. Patel, VB; Preedy, VR; Richardson, PJ; Siddiq, T, 2000)	0.31
" No statistically significant or clinically relevant alteration in pharmacokinetic parameters of nateglinide resulted from hepatic dysfunction, and it was well tolerated; therefore, adjustment of nateglinide dosage is not required in subjects with mild to moderate cirrhosis."	( Single-dose pharmacokinetics of nateglinide in subjects with hepatic cirrhosis. Choudhury, S; Filipek, R; Hirschberg, Y; Lasseter, K; McLeod, JF, 2000)	0.31
" Comprehensive support of the EAS with well-tolerated nutrients and pharmaceuticals may amplify the analgesic efficacy of chronic opiate therapy, while enabling dosage reductions that minimize opiate side-effects."	( DL-phenylalanine markedly potentiates opiate analgesia - an example of nutrient/pharmaceutical up-regulation of the endogenous analgesia system. McCarty, MF; Russell, AL, 2000)	0.31
" Only approximately 16% of the dose was excreted unchanged in urine after either dosing route."	( Pharmacokinetics and metabolism of nateglinide in humans. Chin, JA; Graham, ED; Mangold, JB; McLeod, JF; Orwig, BA; Rodriguez, LC; Shapiro, MJ; Weaver, ML, 2001)	0.31
" In this study, it has been found that at a chlorine dosage of 15 mg/L and contact time of 15 min, the percentage total coliform kill in As-samra wastewater sample was 100%."	( Determination of N-chloramines in As-samra chlorinated wastewater and their effect on the disinfection process. al-Sheikh, AM; Fayyad, MK, 2001)	0.31
" Batimastat (30 mg/kg) or vehicle alone was administered by intraperitoneal injection 24 h and 1 h before saline or bleomycin instillation, and then daily at the same dosage until the end of the study."	( Inhibition of bleomycin-induced pulmonary fibrosis in mice by the matrix metalloproteinase inhibitor batimastat. Boichot, E; Caulet-Maugendre, S; Corbel, M; Germain, N; Lagente, V; Molet, S, 2001)	0.31
"The pharmacology, pharmacokinetics, clinical efficacy, adverse effects, interactions, and dosage of nateglinide are reviewed."	( Nateglinide. Halas, CJ, 2001)	0.31
" Substantial genotoxic potential of alpha and lithium particles generated inside or near the malignant cell by the BNC reaction was observed in a dose-response manner as measured by the frequency of micronucleated binucleated melanoma cells and by the number of micronuclei (MN) per binucleated cell."	( Evaluation of the genotoxic effects of the boron neutron capture reaction in human melanoma cells using the cytokinesis block micronucleus assay. Cassapo, R; Castro, M; Chaveca, T; Fernandes, AP; Gonçalves, IC; Oliveira, NG; Rodrigues, AS; Rueff, J; Toscano-Rico, JM, 2001)	0.31
" In the first study premeal (-10,-1 min), administration of nateglinide led to earlier and higher peak plasma nateglinide concentrations, compared with postprandial dosing (+10 min)."	( Effects of timing of administration and meal composition on the pharmacokinetic and pharmacodynamic characteristics of the short-acting oral hypoglycemic agent nateglinide in healthy subjects. Anderson, DM; Luzio, SD; Owens, DR, 2001)	0.31
"To review the pharmacology, pharmacokinetics, dosing guidelines, adverse effects, drug interactions, and clinical efficacy of nateglinide."	( Nateglinide therapy for type 2 diabetes mellitus. Baker, DE; Campbell, RK; Levien, TL; White, JR, 2001)	0.31
"Nateglinide is similar to repaglinide, but has a quicker onset of action, quicker reversal, and does not usually require dosage titration."	( Nateglinide therapy for type 2 diabetes mellitus. Baker, DE; Campbell, RK; Levien, TL; White, JR, 2001)	0.31
" Concentrations of AG7185 observed during multiple dosing were higher than those observed after the first dose but were no more than predicted from the single-dose study."	( Pharmacokinetics and safety of an antirhinoviral agent, ruprintrivir, in healthy volunteers. Gersten, M; Hsyu, PH; Kerr, BM; Penning, CA; Pithavala, YK, 2002)	0.31
"8 ng/ml at 1 and 4 h after dosing (P<0."	( Effects of the ECE/NEP inhibitor CGS 34225 on the big ET-1-induced pressor response and plasma atrial natriuretic peptide concentration in conscious rats. Beil, ME; Bruseo, CW; Fink, CA; Hoyer, D; Jeng, AY; Savage, P; Trapani, AJ, 2002)	0.31
"8-fold rightward shift of dose-response curve; P<0."	( Role of endothelin-converting enzyme, chymase and neutral endopeptidase in the processing of big ET-1, ET-1(1-21) and ET-1(1-31) in the trachea of allergic mice. De Campo, BA; Goldie, RG; Henry, PJ; Jeng, AY, 2002)	0.31
" When used in a flexible dosing regime in a large cohort of patients, it is associated with better glycaemic control, a reduction in HbA1c, weight loss and improved quality of life compared to sulphonylureas."	( Insulin secretagogues. Davies, MJ, 2002)	0.31
" There was a dose-response effect of both insulin and amino acids on muscle protein synthesis."	( Insulin and amino acids independently stimulate skeletal muscle protein synthesis in neonatal pigs. Bush, JA; Davis, TA; Nguyen, HV; O'Connor, PM; Suryawan, A, 2003)	0.32
" On the sixth occasion, subjects received placebo tablets at all dosing time points."	( The effect of nateglinide taken with food on gastric emptying rates in healthy subjects. Anderson, D; Kellett, N; Marshall, D; Nimmo, W; Shelley, S, 2003)	0.32
" Nateglinide absorption was faster when administered at -5 or -10 minutes relative to food, as characterized by higher nateglinide area under the concentration-time curve from 0 to 5 hours (AUC(0-5)) and maximum plasma concentration (C(max)) values, compared with those observed at other dosing time points."	( The effect of nateglinide taken with food on gastric emptying rates in healthy subjects. Anderson, D; Kellett, N; Marshall, D; Nimmo, W; Shelley, S, 2003)	0.32
" The dosage of phenylalanine used caused an increase over the normal concentration of phenylalanine in the plasma and spleen of rats, but did not cause a loss of weight or serum protein changes in the treated animals."	( INHIBITION OF ANTIBODY SYNTHESIS BY L-PHENYLALANINE. CARVER, MJ; RYAN, WL, 1964)	0.24
" The decision to prescribe one of these three insulinotropic agents should be based on factors such as the patient's ability to comply with complex dosing regimens, the need to control fasting hyperglycemia, the risk of interprandial hypoglycemia, and pharmacoeconomic considerations, rather than postprandial glucose-lowering efficacy."	( Targeting postprandial hyperglycemia: a comparative study of insulinotropic agents in type 2 diabetes. Carroll, MF; Castro, M; Gutierrez, A; Schade, DS; Tsewang, D, 2003)	0.32
" Ruprintrivir prophylaxis reduced the proportion of subjects with positive viral cultures (for 5x/day dosing groups, 44% for ruprintrivir treatment group versus 70% for placebo treatment group [P=0."	( Phase II, randomized, double-blind, placebo-controlled studies of ruprintrivir nasal spray 2-percent suspension for prevention and treatment of experimentally induced rhinovirus colds in healthy volunteers. Chi-Burris, K; Gersten, M; Gwaltney, JM; Hayden, FG; Hsyu, P; Patick, AK; Smith, GJ; Turner, RB; Zalman, LS, 2003)	0.32
" This suggests that no dosage adjustments will be required when nateglinide and acenocoumarol are coadministered in clinical practice."	( The effect of nateglinide on the pharmacokinetics and pharmacodynamics of acenocoumarol. Bigler, H; Ligueros-Saylan, M; McLeod, J; Prasad, P; Smith, H; Sunkara, G; Wang, Y, 2004)	0.32
" The objective was to compare glucose, insulin and C-peptide 24 h profiles in patients with type 2 diabetes mellitus after dosing with nateglinide (given preprandially before three test meals), glibenclamide (administered once before breakfast) or placebo (given before three test meals)."	( A placebo-controlled crossover study comparing the effects of nateglinide and glibenclamide on postprandial hyperglycaemia and hyperinsulinaemia in patients with type 2 diabetes. Anderson, DM; Barnett, AH; Morgan, R; Owens, DR; Shelley, S, 2004)	0.32
" Dosing followed a six-sequence balanced, two 3 x 3-replicated Latin square."	( A placebo-controlled crossover study comparing the effects of nateglinide and glibenclamide on postprandial hyperglycaemia and hyperinsulinaemia in patients with type 2 diabetes. Anderson, DM; Barnett, AH; Morgan, R; Owens, DR; Shelley, S, 2004)	0.32
" Two steroid dosage protocols were used."	( The effect of dexamethasone on the uptake of p-boronophenylalanine in the rat brain and intracranial 9L gliosarcoma. Coderre, JA; Micca, PL; Morris, GM, 2004)	0.32
" Both peak (1cm(3)) dose and average whole-brain dose show a steep dose-response relationship using somnolence syndrome as the clinical endpoint."	( Tolerance of normal human brain to boron neutron capture therapy. Binns, PJ; Coderre, JA; Harling, OK; Hopewell, JW; Kiger, WS; Riley, KJ; Turcotte, JC, 2004)	0.32
" CRR correlated inversely with pretreatment phenylalanine levels, indicating the gene dosage effects on PKU."	( In vivo studies of phenylalanine hydroxylase by phenylalanine breath test: diagnosis of tetrahydrobiopterin-responsive phenylalanine hydroxylase deficiency. Hase, Y; Inui, K; Kajiwara, M; Kawajiri, M; Nishi, Y; Okano, Y; Sakai, N; Takatori, K; Tanaka, Y; Yamano, T, 2004)	0.32
" Dose-response studies identified the residues most prone to oxidation to be Phe-36, Phe-46, and Met-80."	( Hydroxyl radical oxidation of cytochrome c by aerobic radiolysis. Anderson, VE; Nukuna, BN; Sun, G, 2004)	0.32
" Guidance regarding the dosage and distribution of this protein substitute, over a 24-hour period, is unclear and there is variation in recommendation between treatment centres."	( Protein substitute for children and adults with phenylketonuria. Poustie, VJ; Rutherford, P, 2005)	0.33
"To assess in children and adults with phenylketonuria, who are adhering to a low phenylalanine diet, the benefits and adverse effects of protein substitute, its dosage and distribution of dose."	( Protein substitute for children and adults with phenylketonuria. Poustie, VJ; Rutherford, P, 2005)	0.33
" We report on the long-term treatment of eight patients with mild and classical phenylketonuria (blood Phe levels maximum blood Phe levels between 771 and 1500 micromol/L) using BH4 at a dosage of 8-12 mg/kg BW per day."	( Long-term treatment of patients with mild and classical phenylketonuria by tetrahydrobiopterin. Blau, N; Frauendienst-Egger, G; Korall, H; Scheible, D; Trefz, FK, 2005)	0.33
"To determine if a lower dose of protein substitute could achieve the same or better degree of blood phenylalanine control when compared to the dosage recommended by the UK MRC."	( Protein substitute dosage in PKU: how much do young patients need? Asplin, D; Booth, IW; Chakrapani, A; Daly, A; Davies, P; Hall, K; Hendriksz, C; MacDonald, A, 2006)	0.33
"A higher dosage of protein substitute appeared to contribute to lower blood phenylalanine concentrations in PKU, but it did have a variable and individual impact and may have been influenced by the carbohydrate (+/- fat) content of the protein substitute."	( Protein substitute dosage in PKU: how much do young patients need? Asplin, D; Booth, IW; Chakrapani, A; Daly, A; Davies, P; Hall, K; Hendriksz, C; MacDonald, A, 2006)	0.33
" The outcome of the loading test depends on the genotype, dosage of BH(4), and BH(4) pharmacokinetics."	( Pharmacokinetics of orally administered tetrahydrobiopterin in patients with phenylalanine hydroxylase deficiency. Blau, N; Demirkol, M; Fiege, B; Fiori, L; Gärtner, KH; Giovannini, M; Ozen, I; Thöny, B; Zurflüh, MR, 2006)	0.33
" We therefore aimed at describing dose-response relationships between amino acid metabolism and circulating FFA concentrations at clamped hormone levels."	( Dose-response effects of free fatty acids on amino acid metabolism and ureagenesis. Christiansen, JS; Gjedde, S; Gjedsted, J; Gormsen, LC; Jørgensen, JO; Møller, N; Nørrelund, H; Schmitz, O, 2008)	0.35
" The aim was to study dose-response correlation between inspiratory fraction of oxygen used for resuscitation and urinary markers of oxidative damage to DNA and amino acids."	( Resuscitation of hypoxic newborn piglets with oxygen induces a dose-dependent increase in markers of oxidation. Andresen, JH; Escrig, R; Saugstad, OD; Solberg, R; Vento, M, 2007)	0.34
" In rats dosed intravenously with [(14)C]-1, approximately 91% of the radioactivity was recovered in bile over 48 h, with 85% accounted for in the first 4-h samples."	( Importance of mechanistic drug metabolism studies in support of drug discovery: A case study with an N -sulfonylated dipeptide VLA-4 antagonist in rats. Baillie, TA; Bleasby, K; Chen, Q; Colletti, A; Dean, DC; Evers, R; Hafey, M; Hagmann, WK; Lanza, TJ; Lin, LS; Magriotis, PA; Stearns, RA; Tang, W; Teffera, Y, 2008)	0.35
" Guidance regarding the use, dosage, and distribution of dosage of the protein substitute over a 24-hour period is unclear, and there is variation in recommendations among treatment centres."	( Protein substitute for children and adults with phenylketonuria. Singh, RH; Yi, S, 2008)	0.35
" One trial investigated the use of protein substitute in 16 participants, while a further two trials investigated the dosage of protein substitute in a total of 53 participants."	( Protein substitute for children and adults with phenylketonuria. Singh, RH; Yi, S, 2008)	0.35
" Daily Phe intake, dosage of AA mixtures and body weight were recorded along with measurements of acylcarnitines in blood spots (by tandem mass spectrometry) and serum AA."	( Carnitine status in early-treated children, adolescents and young adults with phenylketonuria on low phenylalanine diets. Kiener, C; Knerr, I; Meier, N; Rascher, W; Rauh, M; Schmid, P; Weigel, C, 2008)	0.35
"These findings, taken together with the observed therapeutic effect, support bodyweight-based, once-daily dosing of sapropterin 5-20 mg/kg/day."	( Pharmacokinetics of sapropterin in patients with phenylketonuria. Clarke, L; Dorenbaum, A; Feillet, F; Foehr, E; Giovannini, M; Green, B; Harmatz, P; Lipson, M; Meli, C; Morris, AA; Mould, DR, 2008)	0.35
" (5) The patient started to be treated with large dosage of BH4 (10 - 20) mg/(kg."	( [Diagnosis, treatment and gene mutation analysis of the first case with dihydropteridine reductase deficiency in the mainland of China]. Gao, XL; Gu, XF; Han, LS; Qiu, WJ; Wang, Y; Ye, J; Zhang, HW; Zhou, JD, 2008)	0.35
" Improvement in drug delivery and the development of the best dosing paradigms for both boronophenylalanine (BPA) and sodium borocaptate (BSH) are of major importance and these still have not been optimized."	( Boron neutron capture therapy at the crossroads: challenges and opportunities. Barth, RF, 2009)	0.35
" The ethyl ester prodrug of 13 demonstrated excellent receptor occupancy after oral dosing in rats."	( Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(l)-prolyl}-4-[(3',5'-dichloro-isonicotinoyl) amino]-(l)-phenylalanine (MK-0617), a highly potent and orally active VLA-4 antagonist. Alves, K; Gardner, MF; James, J; Lebsack, AD; Lingham, RB; Maniar, S; Mumford, RA; Munoz, B; Si, Q; Stock, N; Treonze, KM; Venkatraman, S; Wang, B; Zunic, J, 2009)	0.35
" This article describes the investigation of oxidative degradation encountered with compound A (a phenylalanine-drug complex) in a capsule dosage form."	( Understanding drug-excipient compatibility: oxidation of compound A in a solid dosage form. Dali, M; Gupta, A; Raghavan, K; Wu, Y, 2009)	0.35
" Blends of denagliptin with various excipients were stressed under heat and humidity in order to evaluate whether tablet was a viable dosage form."	( Elucidating the pathways of degradation of denagliptin. Bryant-Mills, R; Copley, RC; Facchine, KL; Johnson, B; Joshi, BK; Leblanc, MP; Osterhout, M; Patterson, DE; Powers, J; Ramsey, B; Sides, SL, 2010)	0.36
" Dosing was divided into 3 periods each separated by a 72-h treatment-free observation: once-daily (QD) × 1, twice-daily (BID) × 10, and thrice-daily (TID) × 10 days."	( Safety and pharmacokinetics of a novel lymphocyte function-associated antigen-1 antagonist ophthalmic solution (SAR 1118) in healthy adults. Burnier, JP; Gadek, TR; Haughey, DB; Newman, MS; O'Neill, CA; Semba, CP; Smith, VL; Swearingen, D, 2011)	0.37
" Tear PK profiles support a QD/BID dosing schedule."	( Safety and pharmacokinetics of a novel lymphocyte function-associated antigen-1 antagonist ophthalmic solution (SAR 1118) in healthy adults. Burnier, JP; Gadek, TR; Haughey, DB; Newman, MS; O'Neill, CA; Semba, CP; Smith, VL; Swearingen, D, 2011)	0.37
" Subchronic dosing of 8o in PrCP(-/-) and WT mice at 100 mg/kg for 5 days resulted in a 5% reduction in body weight in WT mice and a 1% reduction in PrCP KO mice."	( Design and synthesis of prolylcarboxypeptidase (PrCP) inhibitors to validate PrCP as a potential target for obesity. Bender, K; Bhatt, UR; Chabin, RM; Chapman, KT; Feng, Z; Garcia-Calvo, M; Geissler, WM; Lombardo, M; Pinto, S; Pryor, KD; Roy, RS; Shen, Z; Tong, X; Wong, KK; Xiong, Y; Yang, L; Zhang, Z; Zhou, C, 2010)	0.36
" Continuing education and support will be required thereafter, with further adjustment of diet and sapropterin dosage as a young patient grows."	( Adjusting diet with sapropterin in phenylketonuria: what factors should be considered? Ahring, K; Bélanger-Quintana, A; Dokoupil, K; Gokmen-Ozel, H; Lammardo, AM; MacDonald, A; Motzfeldt, K; Robert, M; Rocha, JC; van Rijn, M, 2011)	0.37
" Replacement of fructose by mannitol in the current clinical BPA formulation is, therefore, feasible with advantages of increased dosing and removal of issues related to fructose intolerance and calorific load."	( Physicochemical investigation of the influence of saccharide-based parenteral formulation excipients on L-p-boronphenylalanine solubilisation for boron neutron capture therapy. Dooley, N; Elliott, M; Ford, SJ; Halbert, GW; Schmidt, E, 2012)	0.38
" Decay curve for plasma l-[1-(13) C]Phe differed between IV and oral dosing protocols with IV dosing fit best using a two-compartment model."	( Oral and intravenous l-[1-13 C]phenylalanine delivery measure similar rates of elimination when gastric emptying and splanchnic extraction are accounted for in adult mixed hounds. Atkinson, JL; Cant, JP; Davenport, GM; Gooding, MA; Pencharz, PB; Shoveller, AK, 2013)	0.39
" Four weeks of dosing resulted in decreased plasma triglycerides and reduced hepatic fat deposition."	( Discovery and characterization of an inhibitor of glucosylceramide synthase. Aay, N; Aoyama, R; Arcalas, A; Bentzien, F; Cancilla, B; Chan, V; Du, H; Finn, P; Galan, A; Hanel, A; Harrison, A; Kearney, P; Koltun, ES; Lamb, P; Larson, CJ; Mohan, R; Nachtigall, J; Nuss, J; Ogilvie, K; Plonowski, A; Qian, F; Richards, S; Rosen, J; Tam, D; Wang, T; Won, KA; Yakes, M; Zhang, J; Zhang, W, 2012)	0.38
" Dosing and timing experiments were performed with the BTBR Pah(enu2) mouse."	( Cardiac teratogenicity in mouse maternal phenylketonuria: defining phenotype parameters and genetic background influences. McBride, KL; Seagraves, NJ, 2012)	0.38
"The objective of this study is to formulate lyophilized oral sustained release polymeric nanoparticles of nateglinide in order to decrease dosing frequency, minimize side effects, and increase bioavailability."	( Lyophilized oral sustained release polymeric nanoparticles of nateglinide. Kaleemuddin, M; Srinivas, P, 2013)	0.39
" Compound 48 gave high blood levels of 28 when dosed orally in cynomolgus monkeys."	( Identification of N-acyl 4-(3-pyridonyl)phenylalanine derivatives and their orally active prodrug esters as dual acting α4β1 and α4β7 receptor antagonists. Cavallo, G; Choi, DS; Frank, K; Gerber, L; Kaplan, G; Lou, J; Pamidimukkala, A; Railkar, A; Renzetti, L; Sidduri, A; Tare, N; Tilley, JW, 2013)	0.39
" Despite low solubility, 42 gave acceptable blood levels of 30 when dosed orally in non-human primates."	( Identification of N-acyl 4-(5-pyrimidine-2,4-dionyl)phenylalanine derivatives and their orally active prodrug esters as dual-acting alpha4-beta1 and alpha4-beta7 receptor antagonists. Cavallo, G; Choi, DS; Frank, K; Gerber, L; Lou, J; Pamidimukkala, A; Railkar, A; Renzetti, L; Sidduri, A; Tare, N; Tilley, JW, 2013)	0.39
" All enrolled patients received 120 mg of nateglinide three times daily within 15 minutes before meals together with metformin (with no restrictions on dosage or frequency of administration) for 12 weeks."	( Nateglinide in combination with metformin in Chinese patients with type 2 diabetes mellitus: a post-marketing surveillance study. Wang, L; Yang, JK, 2013)	0.39
" All but the 100-mg bid dosage significantly increased total lymphocytes and naive B cells, memory B cells, and T cells in peripheral blood compared with placebo, and the dose-response relationship was shown to be linear."	( Pharmacodynamic consequences of administration of VLA-4 antagonist CDP323 to multiple sclerosis subjects: a randomized, double-blind phase 1/2 study. Bennett, B; Cnops, J; Morris, DL; Otoul, C; Sidhu, J; Taubel, J; Wolf, C, 2013)	0.39
" Cerebrospinal fluid should be examined to determine the appropriate dosage of supplement drugs."	( Early replacement therapy in a first Japanese case with autosomal recessive guanosine triphosphate cyclohydrolase I deficiency with a novel point mutation. Endo, W; Hino-Fukuyo, N; Kobayashi, T; Kure, S; Nakayama, T; Sakamoto, O; Sato, H; Shintaku, H; Uematsu, M, 2014)	0.4
" The main problem in formulating an oral dosage form is its low solubility in aqueous media."	( I. Technological approaches to improve the dissolution behavior of nateglinide, a lipophilic insoluble drug: nanoparticles and co-mixing. Bruni, G; Canobbio, A; Cardini, A; Conte, U; Maggi, L; Maietta, M, 2013)	0.39
" Rats were acutely dosed with vortioxetine, ondansetron (5-HT3 receptor antagonist) or flesinoxan (5-HT1A receptor agonist)."	( Vortioxetine dose-dependently reverses 5-HT depletion-induced deficits in spatial working and object recognition memory: a potential role for 5-HT1A receptor agonism and 5-HT3 receptor antagonism. du Jardin, KG; Jensen, JB; Pehrson, AL; Sanchez, C, 2014)	0.4
" The main micronutrient sources are chemically derived and their delivery dosage is usually advised in three or more doses throughout the day."	( Main issues in micronutrient supplementation in phenylketonuria. Ahring, K; Bélanger-Quintana, A; Dokoupil, K; Feillet, F; Goyens, P; Lammardo, AM; MacDonald, A; Ozel, HG; Robert, M; Rocha, JC; van Rijn, M, 2013)	0.39
" Factors that can affect phenylalanine fluctuations include age, diet, timing and dosing of protein substitute and energy intake, dietary adherence, phenylalanine hydroxylase genotype, changes in dietary phenylalanine intake and protein metabolism, illness, and growth rate."	( Fluctuations in phenylalanine concentrations in phenylketonuria: a review of possible relationships with outcomes. Bélanger-Quintana, A; Bettiol, E; Blau, N; Burlina, A; Cleary, M; Feillet, F; Gasteyger, C; Giżewska, M; MacDonald, A; Muntau, AC; Trefz, F; van Spronsen, FJ, 2013)	0.39
"We characterized the dose-response relation of postabsorptive rates of myofibrillar MPS to increasing amounts of whey protein at rest and after exercise in resistance-trained, young men."	( Myofibrillar muscle protein synthesis rates subsequent to a meal in response to increasing doses of whey protein at rest and after resistance exercise. Breen, L; Jackman, SR; Selby, A; Smith, K; Tipton, KD; Witard, OC, 2014)	0.4
" The optimal dosing of amino acid and energy intake has yet to be established."	( Adaptive regulation of amino acid metabolism on early parenteral lipid and high-dose amino acid administration in VLBW infants - a randomized, controlled trial. Dorst, K; Roelants, JA; Rook, D; Schierbeek, H; van den Akker, CH; van Goudoever, JB; Vermes, A; Vermeulen, MJ; Vlaardingerbroek, H, 2014)	0.4
" Initially, the l-DOPA dosing paradigm was evaluated."	( Effects of l-DOPA pre-loading on the uptake of boronophenylalanine using the F98 glioma and B16 melanoma models. Barth, RF; Chandra, S; Haider, SA; Huo, T; Kabalka, GW; Shaikh, AL; Yang, W, 2014)	0.4
" In three dose-response studies, six pigs within each of 14 blocks were assigned to six low CP diets (14."	( Performance of piglets in response to the standardized ileal digestible phenylalanine and tyrosine supply in low-protein diets. Corrent, E; Gloaguen, M; Le Floc'h, N; Primot, Y; van Milgen, J, 2014)	0.4
" Furthermore, compared to loperamide, which is used to treat non-specific diarrhea, the effects of eluxadoline on GI transit occur over a wider dosage range."	( Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers. Devi, LA; Dove, LS; Fujita, W; Gomes, I; McIntyre, G; Prohaska, D, 2014)	0.4
" To test if casein induces a slower rate of gastric emptying in cats than whey protein, L-[1-(13)C]phenylalanine (Phe) was dosed orally into 9 adult cats to estimate gastric emptying and whole-body Phe flux."	( Phenylalanine flux and gastric emptying are not affected by replacement of casein with whey protein in the diet of adult cats consuming frequent small meals. Cant, JP; Osborne, VR; Shoveller, AK; Tycholis, TJ, 2014)	0.4
" For the (10)B(n, α)(7)Li reaction, linear dose-response relations for dicentrics with coefficients α = 0."	( The effectiveness of the high-LET radiations from the boron neutron capture [10B(n,α) 7Li] reaction determined for induction of chromosome aberrations and apoptosis in lymphocytes of human blood samples. Canella, L; Kudejova, P; Röhrmoser, A; Schmid, E; Schmid, TE; Wagner, FM, 2015)	0.42
" The mean percentage change in Phe blood levels after the 8-day response test period compared to Phe levels prior to dosing was 14."	( [Open, non-comparative phase III clinical study to evaluate the efficacy and safety of sapropterin in patients with phenylketonuria and hyperphenylalaninemia]. Akhmadeeva, ÉN; Alimova, IL; Bazhenova, IuL; Borovik, TÉ; Bushueva, TV; Filimonova, MN; Garifullina, ÉR; Kostiakova, EA; Kovtun, OP; Kuzenkova, LM; Mardanova, AK; Minaĭcheva, LI; Nazarenko, LP; Pichkur, NA; Rozenson, OL; Saliukova, OA; Samonenko, NV; Seitova, GN; Shkurko, TA; Sivokha, VM, 2014)	0.4
" Guidance regarding the use, dosage, and distribution of dosage of the protein substitute over a 24-hour period is unclear, and there is variation in recommendations among treatment centres."	( Protein substitute for children and adults with phenylketonuria. Singh, RH; Yi, SH, 2015)	0.42
" One trial investigated the use of protein substitute in 16 participants, while a further two trials investigated the dosage of protein substitute in a total of 53 participants."	( Protein substitute for children and adults with phenylketonuria. Singh, RH; Yi, SH, 2015)	0.42
" The sCAR-T-cell dosing regimen could be tuned to provide efficacy comparable to the corresponding conventional CART-19, but with lower cytokine levels, thereby offering a method of mitigating cytokine release syndrome in clinical translation."	( Switch-mediated activation and retargeting of CAR-T cells for B-cell malignancies. Cao, Y; Du, J; Hampton, EN; Hardy, IR; Kim, CH; Ma, J; Mazagova, M; Nunez, V; Ramadoss, NS; Rodgers, DT; Schulman, A; Schultz, PG; Shen, J; Singer, O; Wang, F; Woods, AK; Wright, TM; Young, TS, 2016)	0.43
" Here, we found that the dose-response curve of PF74 is triphasic, consisting of a plateau and two inhibitory phases of different slope values, consistent with a bimodal mechanism of drug action."	( Roles of Capsid-Interacting Host Factors in Multimodal Inhibition of HIV-1 by PF74. Aiken, C; Engelman, AN; Ferhadian, D; Halambage, UD; Saito, A; Serrao, E; Shi, J; Siddiqui, MA; Soto, J; Sowd, GA; Teng, S; Yamashita, M, 2016)	0.43
" This work reveals that the dose-response curve of PF74 consists of two distinct inhibitory phases that are differentially regulated by CA-interacting host proteins."	( Roles of Capsid-Interacting Host Factors in Multimodal Inhibition of HIV-1 by PF74. Aiken, C; Engelman, AN; Ferhadian, D; Halambage, UD; Saito, A; Serrao, E; Shi, J; Siddiqui, MA; Soto, J; Sowd, GA; Teng, S; Yamashita, M, 2016)	0.43
" To date only a few opioid receptor modulators are currently in use for the treatment of IBS but with dosage limitations due to the early development of severe constipation."	( Eluxadoline for the treatment of diarrhoea-predominant irritable bowel syndrome. Abenavoli, L; Gasbarrini, A; Ianiro, G; Laterza, L; Scarpellini, E; Tack, J, 2016)	0.43
" However, its effect was not dose-dependent and the dose-response curve was bell-shaped."	( Inhibitory Effects of Medium Molecular Weight Heparinyl Amino Acid Derivatives on Ischemic Paw Edema in Mice. Nakamura, K; Takeda, S; Toda, T, )	0.13
" Dose-response curve at 20 min after the injection of each compound indicated a bell-shape."	( Effects of Medium Molecular Weight Heparinyl Phenylalnine on Superoxide Dismutase Activity in Mice. Nakamura, K; Takeda, S; Toda, T, )	0.13
" The predicted warfarin-binding site was verified by shifted dose-response curves of specified mutated residues."	( Warfarin and vitamin K compete for binding to Phe55 in human VKOR. Biswas, A; Czogalla, KJ; Höning, K; Hornung, V; Liphardt, K; Oldenburg, J; Watzka, M, 2017)	0.46
" Second, we determined bicarbonate retention in 5 dogs using repeated oral dosing of a bicarbonate tracer (NaHCO) with small meals."	( Calibration and validation of a carbon oxidation system and determination of the bicarbonate retention factor and the dietary phenylalanine requirement, in the presence of excess tyrosine, of adult, female, mixed-breed dogs,. Atkinson, JL; Ball, RO; Danelon, JJ; Davenport, GM; Pencharz, PB; Shoveller, AK, 2017)	0.46
"Retrospective data from 31 children with PKU who commenced a weaning PS were collected from clinical records from age of weaning to 2 years, on: gender; birth order; weaning age; anthropometry; blood Phe levels; age commenced and dosage of weaning PS and Phe-free infant L-amino acid formula; natural protein intake; and issues with administration of PS or food."	( Fifteen years of using a second stage protein substitute for weaning in phenylketonuria: a retrospective study. Daly, A; Evans, S; MacDonald, A; MacDonald, J; Pinto, A, 2018)	0.48
"Two Phase 3 studies, PRISM-1 and PRISM-2, evaluated the efficacy and safety of pegvaliase treatment using an induction, titration, and maintenance dosing regimen in adults with PKU."	( Pegvaliase for the treatment of phenylketonuria: Results of a long-term phase 3 clinical trial program (PRISM). Amato, S; Bilder, DA; Dimmock, D; Gu, Z; Gupta, S; Harding, CO; Jiang, J; Larimore, K; Levy, H; Merilainen, M; Northrup, H; Olbertz, J; Thomas, J; Vockley, J; Weng, HH; Zori, R, 2018)	0.48
"Pegvaliase was administered using an induction, titration, and maintenance dosing regimen in adults with PKU naïve to pegvaliase treatment."	( Induction, titration, and maintenance dosing regimen in a phase 2 study of pegvaliase for control of blood phenylalanine in adults with phenylketonuria. Decker, C; Larimore, K; Li, M; Longo, N; Rizzo, WB; Rosen, O; Schweighardt, B; Shur, N; Thomas, JA; Zori, R, 2018)	0.48
" One participant in Group B had four acute systemic hypersensitivity events of anaphylaxis consistent with clinical National Institute of Allergy and Infectious Disease/Food Allergy and Anaphylaxis Network criteria; all events were non-IgE mediated and resolved without sequelae, with pegvaliase dosing discontinued after the fourth event."	( Induction, titration, and maintenance dosing regimen in a phase 2 study of pegvaliase for control of blood phenylalanine in adults with phenylketonuria. Decker, C; Larimore, K; Li, M; Longo, N; Rizzo, WB; Rosen, O; Schweighardt, B; Shur, N; Thomas, JA; Zori, R, 2018)	0.48
"Pegvaliase administered with an induction, titration, and maintenance dosing regimen demonstrated substantial efficacy at reducing blood Phe in both Group A and Group B by Week 48, with a manageable safety profile in most participants."	( Induction, titration, and maintenance dosing regimen in a phase 2 study of pegvaliase for control of blood phenylalanine in adults with phenylketonuria. Decker, C; Larimore, K; Li, M; Longo, N; Rizzo, WB; Rosen, O; Schweighardt, B; Shur, N; Thomas, JA; Zori, R, 2018)	0.48
"Immunogenicity was assessed during induction, upward titration, and maintenance dosing regimens in adults with PKU (n = 261)."	( Association of immune response with efficacy and safety outcomes in adults with phenylketonuria administered pegvaliase in phase 3 clinical trials. Atkinson, JP; Boyer, R; Gu, Z; Gupta, S; Harding, CO; Knight, V; Larimore, K; Lau, K; Li, M; Olbertz, J; Rosen, O; Schweighardt, B; Shepherd, G; Weng, HH; Zoog, SJ, 2018)	0.48
" Blood Phe decreased over time as CIC levels and complement activation declined and pegvaliase dosage increased."	( Association of immune response with efficacy and safety outcomes in adults with phenylketonuria administered pegvaliase in phase 3 clinical trials. Atkinson, JP; Boyer, R; Gu, Z; Gupta, S; Harding, CO; Knight, V; Larimore, K; Lau, K; Li, M; Olbertz, J; Rosen, O; Schweighardt, B; Shepherd, G; Weng, HH; Zoog, SJ, 2018)	0.48
"Guidance statements were developed for four categories: (1) treatment goals and considerations prior to initiating therapy, (2) dosing considerations, (3) considerations for dietary management, and (4) best approaches to optimize medical management."	( Evidence- and consensus-based recommendations for the use of pegvaliase in adults with phenylketonuria. Bausell, H; Bilder, DA; Burton, B; Dimmock, D; Gross, C; Harding, CO; Levy, H; Longo, N; Northrup, H; Rohr, F; Sacharow, S; Sanchez-Valle, A; Stuy, M; Thomas, J; Viau, K; Vockley, J; Zori, R, 2019)	0.51
" Results from this study combined with population pharmacokinetic modeling/simulation suggest that solriamfetol dosage adjustments are necessary in patients with moderate or severe but not with mild renal impairment."	( Single-Dose Pharmacokinetics and Safety of Solriamfetol in Participants With Normal or Impaired Renal Function and With End-Stage Renal Disease Requiring Hemodialysis. Chen, D; Lasseter, K; Lee, L; Marbury, T; Zomorodi, K, 2019)	0.51
"Tryptophan (Trp) is an indispensable amino acid (AA) for dogs of all life stages; however, although Trp requirements for growing dogs are derived from 3 dose-response studies, there are no empirical data on Trp requirements for adult dogs at maintenance."	( Tryptophan requirements in small, medium, and large breed adult dogs using the indicator amino acid oxidation technique1. Fortener, L; Mansilla, WD; Shoveller, AK; Templeman, JR, 2019)	0.51
" Immunology and PKU experts unanimously supported that the use of an induction, titration, and maintenance dosing regimen and implementation of several risk mitigation strategies contributed to the improvement of tolerability over time."	( Pegvaliase: Immunological profile and recommendations for the clinical management of hypersensitivity reactions in patients with phenylketonuria treated with this enzyme substitution therapy. Brockow, K; Daha, M; Hausmann, O; Knol, E; Longo, N; Müller, I; Northrup, H, )	0.13
" Importantly, the risk mitigation strategies utilized in the clinical trials were considered to support the continued use of key strategies for management in the commercial setting, such as a slow induction/titration dosing paradigm and premedication with H1-receptor antagonists."	( Pegvaliase: Immunological profile and recommendations for the clinical management of hypersensitivity reactions in patients with phenylketonuria treated with this enzyme substitution therapy. Brockow, K; Daha, M; Hausmann, O; Knol, E; Longo, N; Müller, I; Northrup, H, )	0.13
" A significant but transient increase in lymphocyte count was observed after AJM300 dosing at all dosages tested compared with the placebo."	( AJM300, a novel oral antagonist of α4-integrin, sustains an increase in circulating lymphocytes: A randomised controlled trial in healthy male subjects. Fukase, H; Furuie, H; Ikeda, N; Kajioka, T; Oikawa, I, 2020)	0.56
"The maximal and 24-h sustained pharmacodynamic effects were demonstrated at the 960-mg dosage after oral administration of AJM300 3 times daily for 6 days, which was also found to be safe and well tolerated."	( AJM300, a novel oral antagonist of α4-integrin, sustains an increase in circulating lymphocytes: A randomised controlled trial in healthy male subjects. Fukase, H; Furuie, H; Ikeda, N; Kajioka, T; Oikawa, I, 2020)	0.56
" Zolpidem has been marketed in new dosage forms that include sublingual tablets and oral spray formulations."	( New pharmacologic agents for insomnia and hypersomnia. Earl, DC; Van Tyle, KM, 2020)	0.56
"Recent advancements in the treatment of insomnia includes agents with novel mechanisms, new indications, and new dosage forms."	( New pharmacologic agents for insomnia and hypersomnia. Earl, DC; Van Tyle, KM, 2020)	0.56
" The combined dosimetric and radiobiological model includes an analytical formulation that accounts for the type of neutron source, the tissue- or cancer-specific dose-response characteristics, and the microdistribution of boron."	( Mechanistic Modeling of the Relative Biological Effectiveness of Boron Neutron Capture Therapy. Jevremovic, T; Moffitt, G; Stewart, RD; Streitmatter, SW, 2020)	0.56
" Natural protein intake and protein substitute dosing was adjusted during the period without BH4 in order to keep DBS phenylalanine levels within target range."	( Effect of BH4 on blood phenylalanine and tyrosine variations in patients with phenylketonuria. Burgerhof, J; de Vries, MC; Evers, R; Heiner-Fokkema, MR; Janssen, M; van Dam, E; van Spronsen, FJ; van Wegberg, A, 2021)	0.62
" The occurrence of AESIs was not related to dosage or duration of therapy."	( Long-Term Treatment with Telotristat Ethyl in Patients with Carcinoid Syndrome Symptoms: Results from the TELEPATH Study. Anthony, L; Banks, P; Benavent, M; Bergsland, E; Binder, P; Caplin, M; Gross, DJ; Hörsch, D; Kassler-Taub, KB; Kulke, MH; Lapuerta, P; Öberg, K; Pavel, M; Valle, JW; Welin, S, 2022)	0.72
" Studies with induction/titration/maintenance (I/T/M) dosing regimens demonstrated pharmacokinetic stabilization and sustained efficacy associated with maintenance doses (20, 40, or 60 mg/day)."	( Pharmacokinetic, pharmacodynamic, and immunogenic rationale for optimal dosing of pegvaliase, a PEGylated bacterial enzyme, in adult patients with phenylketonuria. Burton, BK; Gu, Z; Gupta, S; Harding, CO; Henshaw, J; Larimore, K; Li, M; Longo, N; Merilainen, M; Olbertz, J; Patel, G; Qi, Y; Schweighardt, B; Weng, HH; Zoog, SJ; Zori, R, 2021)	0.62
" The timing and dosage needed to achieve a response did not correlate with patient weight, starting phenylalanine level, starting diet, or co-treatment with sapropterin dihydrochloride."	( Palynziq clinic: One year and 43 patients later. Lah, M; McPheron, M, 2021)	0.62
"Mucoadhesive buccal patch is a promising dosage form for a successful oral drug delivery, which provides unique advantages for various applications such as treatment of periodontal disease and postdental surgery disorders."	( Fabrication of multifunctional mucoadhesive buccal patch for drug delivery applications. Bahrami, SH; Bashari, A; Hemmatinejad, N; Rohani Shirvan, A, 2021)	0.62
" Phe and tyrosine were dosed before dinner, 2h-after dinner, and after the overnight fast."	( Beneficial Effects of Slow-Release Large Neutral Amino Acids after a Phenylalanine Oral Load in Patients with Phenylketonuria. Albano, L; Concolino, D; Crisci, D; Esposito, G; Ferraro, S; Nastasi, A; Parenti, G; Ruoppolo, M; Scala, I; Sestito, S; Strisciuglio, P, 2021)	0.62
" The objective of this study was to describe dosing and titration strategies used when initiating solriamfetol and to assess whether and how patient factors affected these strategies."	( Solriamfetol Titration and AdministRaTion (START) in Patients with Obstructive Sleep Apnea: A Retrospective Chart Review and Hypothetical Patient Scenario. Baldys, B; Chen, A; Foley, C; Hyman, D; Ito, D; Parks, GS; Singh, H; Thorpy, MJ, 2022)	0.72
" This may relate to a combination of high concentrations of BHB (close to 2 mM) imposed systemically by spillover leading to high BHB concentrations in the saline-infused leg and a lack of major differences in concentration gradients between the two sides-implying that observations were made on the upper part of the dose-response curve for BHB and the relatively small number of subjects studied."	( Investigating effects of sodium beta-hydroxybutyrate on metabolism in placebo-controlled, bilaterally infused human leg with focus on skeletal muscle protein dynamics. Aagaard, R; Bach, E; Jessen, N; Johannsen, M; Jørgensen, JOL; Møller, N; Nielsen, BRR; Olesen, JF; Rittig, N; Svart, MV; Thomsen, HH; Voss, TS, 2022)	0.72
" However, currently, there are no recommendations set by national health agencies for tolerable upper intake levels (UL) for amino acids because of a lack of well-conducted human dose-response trials."	( Tolerable Upper Intake Level for Individual Amino Acids in Humans: A Narrative Review of Recent Clinical Studies. Elango, R, 2023)	0.91
" In the Phase 3 PRISM studies conducted in the United States, pegvaliase induction/titration/maintenance dosing led to clinically meaningful and statistically significant blood Phe reductions versus placebo, with a manageable safety profile."	( Two-year interim safety and efficacy of pegvaliase in Japanese adults with phenylketonuria. Hamazaki, T; Ishige, M; Ito, T; Kuwahara, M; Lee, L; Shintaku, H, 2023)	0.91

Item	Process	Frequency
Sodas	trace-ingredient	12
Beverages	trace-ingredient	10
Beverages	core-ingredient	6
Carbonated drinks	trace-ingredient	6
Boissons édulcorées	trace-ingredient	6
Boissons	trace-ingredient	6
Sodas	core-ingredient	5
Artificially sweetened beverages	trace-ingredient	5
Sodas au cola light	trace-ingredient	5
Sodas light	trace-ingredient	5
Sodas au cola	trace-ingredient	5
Boissons light	trace-ingredient	5
Carbonated drinks	core-ingredient	4
Sweetened beverages	trace-ingredient	4
Läsk	trace-ingredient	4
Drycker	trace-ingredient	4
gazeuses	trace-ingredient	4
Snacks	trace-ingredient	3
Colas	trace-ingredient	3
Diet beverages	trace-ingredient	3
en:Diet sodas	trace-ingredient	3
en:Diet beverages	trace-ingredient	3
en:Artificially sweetened beverages	trace-ingredient	3
Kolsyrade Drycker	trace-ingredient	3
Fruit-based beverages	trace-ingredient	3
Plant-based beverages	trace-ingredient	3
Plant-based foods and beverages	trace-ingredient	3
Colas	core-ingredient	2
Artificially sweetened beverages	core-ingredient	2
Boissons	core-ingredient	2
Snacks	core-ingredient	2
Confectioneries	trace-ingredient	2
Sweet snacks	trace-ingredient	2
Diet cola soft drink	trace-ingredient	2
Diet sodas	trace-ingredient	2
Non-alcoholic beverages	trace-ingredient	2
en:Colas	trace-ingredient	2
en:Festive foods	trace-ingredient	2
en:Fruit sodas	trace-ingredient	2
Fruktbaserade drycker	trace-ingredient	2
Växtbaserade drycker	trace-ingredient	2
Växtbaserad mat och dryck	trace-ingredient	2
Boissons sans alcool	trace-ingredient	2
Boissons gazeuses	trace-ingredient	2
Boissons à base de végétaux	trace-ingredient	2
Aliments et boissons à base de végétaux	trace-ingredient	2
en:diet-cola-soft-drink	core-ingredient	1
Diet sodas	core-ingredient	1
Diet beverages	core-ingredient	1
Boissons avec sucre ajouté	core-ingredient	1
Sodas au cola light	core-ingredient	1
Sodas light	core-ingredient	1
Sodas au cola	core-ingredient	1
Boissons light	core-ingredient	1
Boissons édulcorées	core-ingredient	1
gazeuses	core-ingredient	1
Whey powder	core-ingredient	1
Dairies	core-ingredient	1
Sweetened beverages	core-ingredient	1
Lemonade	core-ingredient	1
Dietary supplements	core-ingredient	1
Energy drinks	core-ingredient	1
édulcorées	core-ingredient	1
Confectioneries	core-ingredient	1
Sweet snacks	core-ingredient	1
Chewing-gum sans sucres	core-ingredient	1
Chewing-gum	core-ingredient	1
Confiseries	core-ingredient	1
sucrés	core-ingredient	1
Multifruit juices from concentrate	core-ingredient	1
Multifruit juices	core-ingredient	1
Fruit juices from concentrate	core-ingredient	1
Fruit juices	core-ingredient	1
Juices and nectars	core-ingredient	1
Fruit-based beverages	core-ingredient	1
Plant-based beverages	core-ingredient	1
Plant-based foods and beverages	core-ingredient	1
Lemon soft drinks	core-ingredient	1
Лимонада със захар и изкуствени подсладители	trace-ingredient	1
Лимонада	trace-ingredient	1
Сода	trace-ingredient	1
Газирани напитки	trace-ingredient	1
Напитки	trace-ingredient	1
Sugar-free chewing gum	trace-ingredient	1
Chewing gum	trace-ingredient	1
Yogurts	trace-ingredient	1
Fermented dairy desserts	trace-ingredient	1
Dairy desserts	trace-ingredient	1
Fermented milk products	trace-ingredient	1
Desserts	trace-ingredient	1
Fermented foods	trace-ingredient	1
Dairies	trace-ingredient	1
Sugar-free colas with artificial sweeteners and without caffeine	trace-ingredient	1
Cola sodas without caffeine	trace-ingredient	1
Iced teas	trace-ingredient	1
Tea-based beverages	trace-ingredient	1
en:diet-sodas	trace-ingredient	1
en:Diet cola soft drink	trace-ingredient	1
en:Christmas foods and drinks	trace-ingredient	1
en:Halloween foods and drinks	trace-ingredient	1
fr:concentrés	trace-ingredient	1
Energy drinks	trace-ingredient	1
en:Pastilles à sucer	trace-ingredient	1
Lemon soft drinks	trace-ingredient	1
Fruit sodas	trace-ingredient	1
en:Diet cola s	trace-ingredient	1
en:Carbonated soft drink without fruit juice without sugar and with artificial sweeteners	trace-ingredient	1
Kolsyrade drycker utan fruktjuice	trace-ingredient	1
Kolsyrade	trace-ingredient	1
Boissons avec sucre ajouté	trace-ingredient	1
Sodas au citron	trace-ingredient	1
Sodas aux fruits	trace-ingredient	1
Boissons aux fruits	trace-ingredient	1
Bonbons	trace-ingredient	1
Confiseries	trace-ingredient	1
sucrés	trace-ingredient	1
ใช้น้ำตาลเทียม	trace-ingredient	1
en:artificially-sweetened-beverages	trace-ingredient	1
Still fruit soft drinks	trace-ingredient	1

Role	Description
nutraceutical	A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
micronutrient	Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions.
Escherichia coli metabolite	Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Saccharomyces cerevisiae metabolite	Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae).
plant metabolite	Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
algal metabolite	Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
mouse metabolite	Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite	Any human metabolite produced by metabolism of a xenobiotic compound in humans.
EC 3.1.3.1 (alkaline phosphatase) inhibitor	An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of alkaline phosphatase (EC 3.1.3.1).
Daphnia magna metabolite	A Daphnia metabolite produced by the species Daphnia magna.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
phenylalanine	An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.
L-alpha-amino acid	Any alpha-amino acid having L-configuration at the alpha-carbon.
erythrose 4-phosphate/phosphoenolpyruvate family amino acid	An L-alpha-amino acid which is biosynthesised from erythrose 4-phosphate and phosphoenolpyruvate (i.e. phenylalanine, tyrosine, and tryptophan). A closed class.
proteinogenic amino acid	Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration.
amino acid zwitterion	The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group.
aromatic amino acid	An amino acid whose structure includes an aromatic ring.
alpha-amino acid	An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group.
phenylalanine	An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.
D-alpha-amino acid
D-alpha-amino acid zwitterion	Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Phenylalanine and Tyrosine Metabolism	11	21
Phenylketonuria	11	21
Tyrosinemia Type 2 (or Richner-Hanhart Syndrome)	11	21
Tyrosinemia Type 3 (TYRO3)	11	21
Inner Membrane Transport	78	62
tRNA Charging	52	27
tRNA Charging 2	22	25
Phenylalanine Biosynthesis	3	9
Phenylalanine Metabolism	10	13
Methionine Metabolism and Salvage	15	34
Flavanone Biosynthesis	5	18
Tropane, Piperidine, and Pyridine Alkaloid Biosynthesis	6	17
Phenylalanine degradation ( Phenylalanine degradation )	13	14
2-Oxo-glutaric acid + L-Phenylalanine = L-Glutamic acid + Phenyl-pyruvic acid ( Phenylalanine degradation )	1	4
Glucosinolate biosynthesis (from aromatic amino acid)	0	21
Protein Synthesis: Phenylalanine	81	4
biopterin metabolism	0	13
tRNA charging pathway	0	23
phenylalanine degradation II (anaerobic)	0	11
Catecholamine synthesis	0	12
Phenylalanine biosynthesis	0	8
Flavonoid biosynthesis	0	19
AtMetExpress overview	0	109
Biochemical pathways: part I	0	466
Amino acid metabolism	0	94
Tyrosine metabolism and related disorders	7	24
Glucose homeostasis	0	21
Amino acid transport defects (IEMs)	9	25
Representative anthocyanin biosynthetic pathway	8	7
Biosynthesis and regeneration of tetrahydrobiopterin and catabolism of phenylalanine	15	19

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Luciferase	Photinus pyralis (common eastern firefly)	Potency	28.6954	0.0072	15.7588	89.3584	AID624030
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	15.8489	0.0002	14.3764	60.0339	AID588532
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	11.2202	0.0002	29.3054	16,493.5996	AID588514
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	0.0158	0.0100	39.5371	1,122.0200	AID588547
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	38.0863	0.0006	27.2152	1,122.0200	AID651741; AID720636
peripheral myelin protein 22	Rattus norvegicus (Norway rat)	Potency	4.5479	0.0056	12.3677	36.1254	AID624032
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	33.4915	0.0002	29.3054	16,493.5996	AID743079
aryl hydrocarbon receptor	Homo sapiens (human)	Potency	37.5780	0.0007	23.0674	1,258.9301	AID743085
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	29.8493	0.0017	23.8393	78.1014	AID743083
ATPase family AAA domain-containing protein 5	Homo sapiens (human)	Potency	18.8336	0.0119	17.9420	71.5630	AID651632
Ataxin-2	Homo sapiens (human)	Potency	18.8336	0.0119	12.2221	68.7989	AID651632
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	39.8107	0.0032	45.4673	12,589.2998	AID2517
regulator of G-protein signaling 4	Homo sapiens (human)	Potency	37.6858	0.5318	15.4358	37.6858	AID504845
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, AMINOPEPTIDASE	Streptomyces griseus	Ki	12,700.0000	12,400.0000	12,550.0000	12,700.0000	AID977610
Chain A, AMINOPEPTIDASE	Streptomyces griseus	Ki	12,700.0000	12,400.0000	12,550.0000	12,700.0000	AID977610
Voltage-dependent calcium channel subunit alpha-2/delta-1	Mus musculus (house mouse)	Ki	0.9786	0.1000	1.6466	5.4000	AID261154
Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)	IC50 (µMol)	101.7000	0.0150	2.2407	8.6000	AID1422552; AID1444565; AID459065
Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)	IC50 (µMol)	80.2033	0.3500	2.5740	7.3400	AID1802586; AID1802592; AID1802638
Intestinal-type alkaline phosphatase	Bos taurus (cattle)	IC50 (µMol)	80.2060	0.3500	2.8833	7.3400	AID1195080; AID1435720; AID1802586; AID1802592; AID1802638
5'-nucleotidase	Rattus norvegicus (Norway rat)	IC50 (µMol)	80.2000	0.1400	0.7867	1.9000	AID1802592
E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)	IC50 (µMol)	80.2000	0.0075	0.6227	4.1000	AID1406004
Phospholipase A-2-activating protein	Homo sapiens (human)	IC50 (µMol)	5.0000	0.0110	1.5370	2.5000	AID459064
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Carbonic anhydrase 12	Homo sapiens (human)	KA	1.3900	0.2400	0.8192	1.6700	AID1815483; AID318346
Carbonic anhydrase 1	Homo sapiens (human)	KA	0.0700	0.0200	1.7219	7.4000	AID1331203; AID1397319; AID1815474; AID268620; AID291061; AID307896; AID318343; AID365827; AID409984; AID462829; AID691713; AID725228
Carbonic anhydrase 2	Homo sapiens (human)	KA	0.0130	0.0110	1.4273	7.8000	AID1331204; AID1397320; AID1815475; AID268621; AID291063; AID307897; AID318344; AID365828; AID409986; AID414329; AID462830; AID464319; AID691714; AID725229
Plasma kallikrein	Homo sapiens (human)	KA	10.4500	0.0440	1.3974	4.3800	AID305777
Carbonic anhydrase 3	Homo sapiens (human)	Ka	34.8000	0.0910	0.7285	1.1200	AID1815476; AID365829; AID409993
Carbonic anhydrase 4	Homo sapiens (human)	Ka	28.3000	0.0790	4.4560	7.3000	AID1815477; AID257047; AID365830; AID375786
Carbonic anhydrase 6	Homo sapiens (human)	KA	1.2200	1.2000	5.8276	9.5400	AID1815480; AID307898; AID462831
Adenosine receptor A1	Rattus norvegicus (Norway rat)	KA	0.0130	0.0110	1.3233	7.8000	AID691714
Adenosine receptor A2a	Rattus norvegicus (Norway rat)	KA	0.0130	0.0110	1.3233	7.8000	AID691714
Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)	KA	9.8050	0.0100	2.7926	9.8100	AID1815478; AID305776
Glutamate receptor ionotropic, NMDA 1	Rattus norvegicus (Norway rat)	KA	10.9300	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase 7	Homo sapiens (human)	KA	10.4650	0.7100	3.8756	10.0000	AID1815481; AID291065
Carbonic anhydrase	Saccharomyces cerevisiae S288C	Ka	86.0000	0.9500	5.1250	9.3000	AID414331; AID464321
Glutamate receptor ionotropic, NMDA 2A	Rattus norvegicus (Norway rat)	KA	10.9300	0.7100	3.7900	9.7400	AID291065
Glutamate receptor ionotropic, NMDA 2B	Rattus norvegicus (Norway rat)	KA	10.9300	0.7100	3.7900	9.7400	AID291065
Glutamate receptor ionotropic, NMDA 2C	Rattus norvegicus (Norway rat)	KA	10.9300	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase 9	Homo sapiens (human)	KA	16.1500	0.0090	4.2493	9.7100	AID1815482; AID318345
Carbonic anhydrase-like protein, putative	Trypanosoma cruzi strain CL Brener	KA	12.1000	0.1400	2.8050	7.5400	AID1397322
Carbonic anhydrase	Candida albicans SC5314	KA	15.5000	0.9600	3.9533	8.4000	AID458784
Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)	KA	10.9300	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase	Nakaseomyces glabratus CBS 138	Ka	24.1000	7.1000	8.3000	9.5000	AID464322
Carbonic anhydrase 13	Homo sapiens (human)	KA	1.0000	0.0500	1.1133	4.6000	AID1815484
Glutamate receptor ionotropic, NMDA 3B	Rattus norvegicus (Norway rat)	KA	10.9300	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase 15	Mus musculus (house mouse)	KA	33.4000	4.0000	7.6857	9.5000	AID375787
Carbonic anhydrase 13	Mus musculus (house mouse)	KA	1.0200	0.0130	1.5140	4.6000	AID268622
Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)	KA	10.9300	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase 14	Homo sapiens (human)	KA	0.2400	0.0100	2.2894	7.2100	AID1815485; AID291067
Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)	KA	10.2250	0.0440	2.1205	10.0000	AID1815479; AID305777
Carbonic anhydrase 12	Homo sapiens (human)	KA	0.3700	0.2400	0.8192	1.6700	AID1815483; AID318346
Carbonic anhydrase 1	Homo sapiens (human)	KA	78.8363	0.0200	1.7219	7.4000	AID1331203; AID1397319; AID1815474; AID268620; AID291061; AID307896; AID318343; AID365827; AID409984; AID462829; AID691713; AID725228
Carbonic anhydrase 2	Homo sapiens (human)	KA	6.1750	0.0110	1.4273	7.8000	AID1331204; AID1397320; AID1815475; AID268621; AID291063; AID307897; AID318344; AID365828; AID409986; AID414329; AID462830; AID464319; AID691714; AID725229
Plasma kallikrein	Homo sapiens (human)	KA	0.0720	0.0440	1.3974	4.3800	AID305777
Carbonic anhydrase 3	Homo sapiens (human)	Ka	15.4000	0.0910	0.7285	1.1200	AID1815476; AID365829; AID409993
Carbonic anhydrase 4	Homo sapiens (human)	Ka	49.2000	0.0790	4.4560	7.3000	AID1815477; AID365830; AID375786
Carbonic anhydrase 6	Homo sapiens (human)	KA	16.0000	1.2000	5.8276	9.5400	AID1815480; AID307898; AID462831
Adenosine receptor A1	Rattus norvegicus (Norway rat)	KA	0.0350	0.0110	1.3233	7.8000	AID691714
Adenosine receptor A2a	Rattus norvegicus (Norway rat)	KA	0.0350	0.0110	1.3233	7.8000	AID691714
Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)	KA	4.6150	0.0100	2.7926	9.8100	AID1815478; AID305776
Glutamate receptor ionotropic, NMDA 1	Rattus norvegicus (Norway rat)	KA	9.7400	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase 7	Homo sapiens (human)	KA	9.7200	0.7100	3.8756	10.0000	AID1815481; AID291065
Carbonic anhydrase	Saccharomyces cerevisiae S288C	Ka	86.0000	0.9500	5.1250	9.3000	AID414331; AID464321
Glutamate receptor ionotropic, NMDA 2A	Rattus norvegicus (Norway rat)	KA	9.7400	0.7100	3.7900	9.7400	AID291065
Glutamate receptor ionotropic, NMDA 2B	Rattus norvegicus (Norway rat)	KA	9.7400	0.7100	3.7900	9.7400	AID291065
Glutamate receptor ionotropic, NMDA 2C	Rattus norvegicus (Norway rat)	KA	9.7400	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase 9	Homo sapiens (human)	KA	9.3000	0.0090	4.2493	9.7100	AID1815482; AID318345
Carbonic anhydrase-like protein, putative	Trypanosoma cruzi strain CL Brener	KA	6.3900	0.1400	2.8050	7.5400	AID1397322
Carbonic anhydrase	Candida albicans SC5314	KA	8.4000	0.9600	3.9533	8.4000	AID458784
Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)	KA	9.7400	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase	Nakaseomyces glabratus CBS 138	Ka	15.7000	7.1000	8.3000	9.5000	AID464322
Carbonic anhydrase 13	Homo sapiens (human)	KA	0.0500	0.0500	1.1133	4.6000	AID1815484
Glutamate receptor ionotropic, NMDA 3B	Rattus norvegicus (Norway rat)	KA	9.7400	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase 15	Mus musculus (house mouse)	KA	9.5000	4.0000	7.6857	9.5000	AID375787
Carbonic anhydrase 13	Mus musculus (house mouse)	KA	0.0510	0.0130	1.5140	4.6000	AID268622
Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)	KA	9.7400	0.7100	3.7900	9.7400	AID291065
Carbonic anhydrase 14	Homo sapiens (human)	KA	7.2050	0.0100	2.2894	7.2100	AID1815485; AID291067
Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)	KA	0.0710	0.0440	2.1205	10.0000	AID1815479; AID305777
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
estrous cycle	Carbonic anhydrase 12	Homo sapiens (human)
chloride ion homeostasis	Carbonic anhydrase 12	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 12	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 1	Homo sapiens (human)
morphogenesis of an epithelium	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of synaptic transmission, GABAergic	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of cellular pH reduction	Carbonic anhydrase 2	Homo sapiens (human)
angiotensin-activated signaling pathway	Carbonic anhydrase 2	Homo sapiens (human)
regulation of monoatomic anion transport	Carbonic anhydrase 2	Homo sapiens (human)
secretion	Carbonic anhydrase 2	Homo sapiens (human)
regulation of intracellular pH	Carbonic anhydrase 2	Homo sapiens (human)
neuron cellular homeostasis	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of dipeptide transmembrane transport	Carbonic anhydrase 2	Homo sapiens (human)
regulation of chloride transport	Carbonic anhydrase 2	Homo sapiens (human)
carbon dioxide transport	Carbonic anhydrase 2	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 2	Homo sapiens (human)
Factor XII activation	Plasma kallikrein	Homo sapiens (human)
proteolysis	Plasma kallikrein	Homo sapiens (human)
blood coagulation	Plasma kallikrein	Homo sapiens (human)
zymogen activation	Plasma kallikrein	Homo sapiens (human)
plasminogen activation	Plasma kallikrein	Homo sapiens (human)
fibrinolysis	Plasma kallikrein	Homo sapiens (human)
positive regulation of fibrinolysis	Plasma kallikrein	Homo sapiens (human)
skeletal system development	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
osteoblast differentiation	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
endochondral ossification	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
developmental process involved in reproduction	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
cellular homeostasis	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
bone mineralization	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to lipopolysaccharide	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to insulin	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to vitamin D	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to vitamin B6	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to macrophage colony-stimulating factor	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
pyridoxal phosphate metabolic process	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to antibiotic	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to glucocorticoid	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
phosphate ion homeostasis	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
calcium ion homeostasis	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
cellular response to organic cyclic compound	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
cementum mineralization	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
positive regulation of cold-induced thermogenesis	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
futile creatine cycle	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
inhibition of non-skeletal tissue mineralization	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to sodium phosphate	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
dephosphorylation	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
response to bacterium	Carbonic anhydrase 3	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 3	Homo sapiens (human)
endochondral ossification	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
developmental process involved in reproduction	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
cellular homeostasis	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
bone mineralization	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
biomineral tissue development	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
response to vitamin D	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
response to vitamin B6	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
pyridoxal phosphate metabolic process	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
response to antibiotic	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
phosphate ion homeostasis	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
calcium ion homeostasis	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
cellular response to organic cyclic compound	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
positive regulation of cold-induced thermogenesis	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
futile creatine cycle	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
inhibition of non-skeletal tissue mineralization	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
response to sodium phosphate	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
dephosphorylation	Intestinal-type alkaline phosphatase	Homo sapiens (human)
dephosphorylation	Intestinal-type alkaline phosphatase	Bos taurus (cattle)
bicarbonate transport	Carbonic anhydrase 4	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 4	Homo sapiens (human)
detection of chemical stimulus involved in sensory perception of bitter taste	Carbonic anhydrase 6	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 6	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
positive regulation of synaptic transmission, GABAergic	Carbonic anhydrase 7	Homo sapiens (human)
positive regulation of cellular pH reduction	Carbonic anhydrase 7	Homo sapiens (human)
neuron cellular homeostasis	Carbonic anhydrase 7	Homo sapiens (human)
regulation of chloride transport	Carbonic anhydrase 7	Homo sapiens (human)
regulation of intracellular pH	Carbonic anhydrase 7	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 7	Homo sapiens (human)
regulation of apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
DNA damage response	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
negative regulation of tumor necrosis factor-mediated signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
Wnt signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of BMP signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of protein ubiquitination	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of type I interferon production	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of cell population proliferation	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
defense response to bacterium	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
negative regulation of apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
negative regulation of cysteine-type endopeptidase activity involved in apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of innate immune response	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of JNK cascade	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of inflammatory response	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
neuron apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
copper ion homeostasis	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of apoptosis involved in tissue homeostasis	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleotide-binding oligomerization domain containing 1 signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleotide-binding oligomerization domain containing 2 signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
protein K63-linked ubiquitination	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of canonical Wnt signaling pathway	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
inhibition of cysteine-type endopeptidase activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of protein linear polyubiquitination	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
regulation of cell cycle	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
positive regulation of cytokine production involved in immune response	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
negative regulation of gene expression	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of type II interferon production	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of interleukin-17 production	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of interleukin-4 production	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
negative regulation of autophagy	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
response to muscle activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
neutral amino acid transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
isoleucine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-leucine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
methionine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
phenylalanine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
proline transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
tryptophan transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
tyrosine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
valine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
alanine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
cellular response to glucose starvation	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
xenobiotic transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
response to hyperoxia	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of glial cell proliferation	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
thyroid hormone transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
cellular response to lipopolysaccharide	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
amino acid import across plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
liver regeneration	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
transport across blood-brain barrier	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-histidine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
cellular response to L-arginine	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-leucine import across plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-tryptophan transmembrane transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
negative regulation of vascular associated smooth muscle cell apoptotic process	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of L-leucine import across plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
amino acid transmembrane transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
response to hypoxia	Carbonic anhydrase 9	Homo sapiens (human)
morphogenesis of an epithelium	Carbonic anhydrase 9	Homo sapiens (human)
response to xenobiotic stimulus	Carbonic anhydrase 9	Homo sapiens (human)
response to testosterone	Carbonic anhydrase 9	Homo sapiens (human)
secretion	Carbonic anhydrase 9	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 9	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 13	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 14	Homo sapiens (human)
phospholipid metabolic process	Phospholipase A-2-activating protein	Homo sapiens (human)
prostaglandin metabolic process	Phospholipase A-2-activating protein	Homo sapiens (human)
inflammatory response	Phospholipase A-2-activating protein	Homo sapiens (human)
signal transduction	Phospholipase A-2-activating protein	Homo sapiens (human)
nervous system development	Phospholipase A-2-activating protein	Homo sapiens (human)
macroautophagy	Phospholipase A-2-activating protein	Homo sapiens (human)
positive regulation of phospholipase A2 activity	Phospholipase A-2-activating protein	Homo sapiens (human)
ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway	Phospholipase A-2-activating protein	Homo sapiens (human)
cellular response to lipopolysaccharide	Phospholipase A-2-activating protein	Homo sapiens (human)
negative regulation of protein K63-linked ubiquitination	Phospholipase A-2-activating protein	Homo sapiens (human)
positive regulation of synaptic vesicle recycling	Phospholipase A-2-activating protein	Homo sapiens (human)
positive regulation of dendrite extension	Phospholipase A-2-activating protein	Homo sapiens (human)
positive regulation of neuron migration	Phospholipase A-2-activating protein	Homo sapiens (human)
proteasome-mediated ubiquitin-dependent protein catabolic process	Phospholipase A-2-activating protein	Homo sapiens (human)
ubiquitin recycling	Phospholipase A-2-activating protein	Homo sapiens (human)
response to bacterium	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
cell population proliferation	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of B cell proliferation	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
nuclear DNA replication	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
signal transduction in response to DNA damage	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
isotype switching	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of DNA replication	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of isotype switching to IgG isotypes	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA clamp unloading	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
regulation of mitotic cell cycle phase transition	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
positive regulation of cell cycle G2/M phase transition	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
negative regulation of receptor internalization	Ataxin-2	Homo sapiens (human)
regulation of translation	Ataxin-2	Homo sapiens (human)
RNA metabolic process	Ataxin-2	Homo sapiens (human)
P-body assembly	Ataxin-2	Homo sapiens (human)
stress granule assembly	Ataxin-2	Homo sapiens (human)
RNA transport	Ataxin-2	Homo sapiens (human)
estrous cycle	Carbonic anhydrase 12	Homo sapiens (human)
chloride ion homeostasis	Carbonic anhydrase 12	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 12	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 1	Homo sapiens (human)
morphogenesis of an epithelium	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of synaptic transmission, GABAergic	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of cellular pH reduction	Carbonic anhydrase 2	Homo sapiens (human)
angiotensin-activated signaling pathway	Carbonic anhydrase 2	Homo sapiens (human)
regulation of monoatomic anion transport	Carbonic anhydrase 2	Homo sapiens (human)
secretion	Carbonic anhydrase 2	Homo sapiens (human)
regulation of intracellular pH	Carbonic anhydrase 2	Homo sapiens (human)
neuron cellular homeostasis	Carbonic anhydrase 2	Homo sapiens (human)
positive regulation of dipeptide transmembrane transport	Carbonic anhydrase 2	Homo sapiens (human)
regulation of chloride transport	Carbonic anhydrase 2	Homo sapiens (human)
carbon dioxide transport	Carbonic anhydrase 2	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 2	Homo sapiens (human)
Factor XII activation	Plasma kallikrein	Homo sapiens (human)
proteolysis	Plasma kallikrein	Homo sapiens (human)
blood coagulation	Plasma kallikrein	Homo sapiens (human)
zymogen activation	Plasma kallikrein	Homo sapiens (human)
plasminogen activation	Plasma kallikrein	Homo sapiens (human)
fibrinolysis	Plasma kallikrein	Homo sapiens (human)
positive regulation of fibrinolysis	Plasma kallikrein	Homo sapiens (human)
response to bacterium	Carbonic anhydrase 3	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 3	Homo sapiens (human)
bicarbonate transport	Carbonic anhydrase 4	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 4	Homo sapiens (human)
detection of chemical stimulus involved in sensory perception of bitter taste	Carbonic anhydrase 6	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 6	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
positive regulation of synaptic transmission, GABAergic	Carbonic anhydrase 7	Homo sapiens (human)
positive regulation of cellular pH reduction	Carbonic anhydrase 7	Homo sapiens (human)
neuron cellular homeostasis	Carbonic anhydrase 7	Homo sapiens (human)
regulation of chloride transport	Carbonic anhydrase 7	Homo sapiens (human)
regulation of intracellular pH	Carbonic anhydrase 7	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 7	Homo sapiens (human)
positive regulation of cytokine production involved in immune response	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
negative regulation of gene expression	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of type II interferon production	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of interleukin-17 production	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of interleukin-4 production	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
negative regulation of autophagy	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
response to muscle activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
neutral amino acid transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
isoleucine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-leucine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
methionine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
phenylalanine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
proline transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
tryptophan transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
tyrosine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
valine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
alanine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
cellular response to glucose starvation	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
xenobiotic transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
response to hyperoxia	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of glial cell proliferation	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
thyroid hormone transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
cellular response to lipopolysaccharide	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
amino acid import across plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
liver regeneration	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
transport across blood-brain barrier	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-histidine transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
cellular response to L-arginine	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-leucine import across plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-tryptophan transmembrane transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
negative regulation of vascular associated smooth muscle cell apoptotic process	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
positive regulation of L-leucine import across plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
amino acid transmembrane transport	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
response to hypoxia	Carbonic anhydrase 9	Homo sapiens (human)
morphogenesis of an epithelium	Carbonic anhydrase 9	Homo sapiens (human)
response to xenobiotic stimulus	Carbonic anhydrase 9	Homo sapiens (human)
response to testosterone	Carbonic anhydrase 9	Homo sapiens (human)
secretion	Carbonic anhydrase 9	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 9	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 13	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 14	Homo sapiens (human)
response to bacterium	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
one-carbon metabolic process	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
zinc ion binding	Carbonic anhydrase 12	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 12	Homo sapiens (human)
arylesterase activity	Carbonic anhydrase 1	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 1	Homo sapiens (human)
protein binding	Carbonic anhydrase 1	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 1	Homo sapiens (human)
hydro-lyase activity	Carbonic anhydrase 1	Homo sapiens (human)
cyanamide hydratase activity	Carbonic anhydrase 1	Homo sapiens (human)
arylesterase activity	Carbonic anhydrase 2	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 2	Homo sapiens (human)
protein binding	Carbonic anhydrase 2	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 2	Homo sapiens (human)
cyanamide hydratase activity	Carbonic anhydrase 2	Homo sapiens (human)
serine-type endopeptidase activity	Plasma kallikrein	Homo sapiens (human)
protein binding	Plasma kallikrein	Homo sapiens (human)
alkaline phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
inorganic diphosphate phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
calcium ion binding	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
pyrophosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
ATP hydrolysis activity	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
pyridoxal phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
ADP phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
phosphoamidase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
phosphoethanolamine phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 3	Homo sapiens (human)
protein binding	Carbonic anhydrase 3	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 3	Homo sapiens (human)
nickel cation binding	Carbonic anhydrase 3	Homo sapiens (human)
alkaline phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
inorganic diphosphate phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
calcium ion binding	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
pyrophosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
ATP hydrolysis activity	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
pyridoxal phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
ADP phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
phosphoamidase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
phosphoethanolamine phosphatase activity	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
magnesium ion binding	Intestinal-type alkaline phosphatase	Homo sapiens (human)
protease binding	Intestinal-type alkaline phosphatase	Homo sapiens (human)
alkaline phosphatase activity	Intestinal-type alkaline phosphatase	Homo sapiens (human)
protein binding	Intestinal-type alkaline phosphatase	Homo sapiens (human)
zinc ion binding	Intestinal-type alkaline phosphatase	Homo sapiens (human)
magnesium ion binding	Intestinal-type alkaline phosphatase	Bos taurus (cattle)
alkaline phosphatase activity	Intestinal-type alkaline phosphatase	Bos taurus (cattle)
zinc ion binding	Intestinal-type alkaline phosphatase	Bos taurus (cattle)
protein binding	Carbonic anhydrase 4	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 4	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 4	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 6	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 6	Homo sapiens (human)
G protein-coupled adenosine receptor activity	Adenosine receptor A2a	Rattus norvegicus (Norway rat)
carbonate dehydratase activity	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 7	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 7	Homo sapiens (human)
ubiquitin-protein transferase activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
protein binding	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
identical protein binding	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
cysteine-type endopeptidase inhibitor activity involved in apoptotic process	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
metal ion binding	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
endopeptidase regulator activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
ubiquitin protein ligase activity	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
protein serine/threonine kinase binding	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
protein binding	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
amino acid transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
aromatic amino acid transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
neutral L-amino acid transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-leucine transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-tryptophan transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
antiporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
thyroid hormone transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
peptide antigen binding	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-amino acid transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 9	Homo sapiens (human)
protein binding	Carbonic anhydrase 9	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 9	Homo sapiens (human)
molecular function activator activity	Carbonic anhydrase 9	Homo sapiens (human)
protein binding	Carbonic anhydrase 13	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 13	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 13	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 14	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 14	Homo sapiens (human)
protein binding	Phospholipase A-2-activating protein	Homo sapiens (human)
phospholipase A2 activator activity	Phospholipase A-2-activating protein	Homo sapiens (human)
ubiquitin binding	Phospholipase A-2-activating protein	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
protein binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
ATP binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
ATP hydrolysis activity	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA clamp unloader activity	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
DNA binding	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
RNA binding	Ataxin-2	Homo sapiens (human)
epidermal growth factor receptor binding	Ataxin-2	Homo sapiens (human)
protein binding	Ataxin-2	Homo sapiens (human)
mRNA binding	Ataxin-2	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 12	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 12	Homo sapiens (human)
arylesterase activity	Carbonic anhydrase 1	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 1	Homo sapiens (human)
protein binding	Carbonic anhydrase 1	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 1	Homo sapiens (human)
hydro-lyase activity	Carbonic anhydrase 1	Homo sapiens (human)
cyanamide hydratase activity	Carbonic anhydrase 1	Homo sapiens (human)
arylesterase activity	Carbonic anhydrase 2	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 2	Homo sapiens (human)
protein binding	Carbonic anhydrase 2	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 2	Homo sapiens (human)
cyanamide hydratase activity	Carbonic anhydrase 2	Homo sapiens (human)
serine-type endopeptidase activity	Plasma kallikrein	Homo sapiens (human)
protein binding	Plasma kallikrein	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 3	Homo sapiens (human)
protein binding	Carbonic anhydrase 3	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 3	Homo sapiens (human)
nickel cation binding	Carbonic anhydrase 3	Homo sapiens (human)
protein binding	Carbonic anhydrase 4	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 4	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 4	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 6	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 6	Homo sapiens (human)
G protein-coupled adenosine receptor activity	Adenosine receptor A2a	Rattus norvegicus (Norway rat)
carbonate dehydratase activity	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 7	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 7	Homo sapiens (human)
protein binding	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
amino acid transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
aromatic amino acid transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
neutral L-amino acid transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-leucine transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-tryptophan transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
antiporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
thyroid hormone transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
peptide antigen binding	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
L-amino acid transmembrane transporter activity	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 9	Homo sapiens (human)
protein binding	Carbonic anhydrase 9	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 9	Homo sapiens (human)
molecular function activator activity	Carbonic anhydrase 9	Homo sapiens (human)
protein binding	Carbonic anhydrase 13	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 13	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 13	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 14	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 14	Homo sapiens (human)
carbonate dehydratase activity	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
zinc ion binding	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Carbonic anhydrase 12	Homo sapiens (human)
membrane	Carbonic anhydrase 12	Homo sapiens (human)
basolateral plasma membrane	Carbonic anhydrase 12	Homo sapiens (human)
apical plasma membrane	Carbonic anhydrase 12	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 12	Homo sapiens (human)
cytosol	Carbonic anhydrase 1	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 1	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 2	Homo sapiens (human)
cytosol	Carbonic anhydrase 2	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 2	Homo sapiens (human)
myelin sheath	Carbonic anhydrase 2	Homo sapiens (human)
apical part of cell	Carbonic anhydrase 2	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 2	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 2	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 2	Homo sapiens (human)
apical part of cell	Carbonic anhydrase 2	Homo sapiens (human)
extracellular region	Plasma kallikrein	Homo sapiens (human)
extracellular space	Plasma kallikrein	Homo sapiens (human)
plasma membrane	Plasma kallikrein	Homo sapiens (human)
extracellular exosome	Plasma kallikrein	Homo sapiens (human)
mitochondrial intermembrane space	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
plasma membrane	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
mitochondrial membrane	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
extracellular region	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
plasma membrane	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
membrane	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
extracellular matrix	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
extracellular exosome	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
side of membrane	Alkaline phosphatase, tissue-nonspecific isozyme	Homo sapiens (human)
cytosol	Carbonic anhydrase 3	Homo sapiens (human)
cytosol	Carbonic anhydrase 3	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 3	Homo sapiens (human)
mitochondrial intermembrane space	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
mitochondrial membrane	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
extracellular matrix	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
extracellular membrane-bounded organelle	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
side of membrane	Alkaline phosphatase, tissue-nonspecific isozyme	Bos taurus (cattle)
extracellular region	Intestinal-type alkaline phosphatase	Homo sapiens (human)
plasma membrane	Intestinal-type alkaline phosphatase	Homo sapiens (human)
side of membrane	Intestinal-type alkaline phosphatase	Homo sapiens (human)
plasma membrane	Intestinal-type alkaline phosphatase	Homo sapiens (human)
side of membrane	Intestinal-type alkaline phosphatase	Bos taurus (cattle)
basolateral plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
rough endoplasmic reticulum	Carbonic anhydrase 4	Homo sapiens (human)
endoplasmic reticulum-Golgi intermediate compartment	Carbonic anhydrase 4	Homo sapiens (human)
Golgi apparatus	Carbonic anhydrase 4	Homo sapiens (human)
trans-Golgi network	Carbonic anhydrase 4	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
external side of plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
cell surface	Carbonic anhydrase 4	Homo sapiens (human)
membrane	Carbonic anhydrase 4	Homo sapiens (human)
apical plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
transport vesicle membrane	Carbonic anhydrase 4	Homo sapiens (human)
secretory granule membrane	Carbonic anhydrase 4	Homo sapiens (human)
brush border membrane	Carbonic anhydrase 4	Homo sapiens (human)
perinuclear region of cytoplasm	Carbonic anhydrase 4	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 4	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
extracellular region	Carbonic anhydrase 6	Homo sapiens (human)
extracellular space	Carbonic anhydrase 6	Homo sapiens (human)
cytosol	Carbonic anhydrase 6	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 6	Homo sapiens (human)
extracellular space	Carbonic anhydrase 6	Homo sapiens (human)
Golgi membrane	Adenosine receptor A2a	Rattus norvegicus (Norway rat)
mitochondrial matrix	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
mitochondrion	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
mitochondrion	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 1	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 1	Rattus norvegicus (Norway rat)
cytosol	Carbonic anhydrase 7	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 7	Homo sapiens (human)
cytoplasm	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleus	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleoplasm	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
cytoplasm	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
cytosol	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
nucleus	E3 ubiquitin-protein ligase XIAP	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2A	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2A	Rattus norvegicus (Norway rat)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2B	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2B	Rattus norvegicus (Norway rat)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2C	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2C	Rattus norvegicus (Norway rat)
lysosomal membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
cytosol	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
basal plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
basolateral plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
apical plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
microvillus membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
intracellular membrane-bounded organelle	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
extracellular exosome	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
external side of apical plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
amino acid transport complex	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
nucleolus	Carbonic anhydrase 9	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 9	Homo sapiens (human)
membrane	Carbonic anhydrase 9	Homo sapiens (human)
basolateral plasma membrane	Carbonic anhydrase 9	Homo sapiens (human)
microvillus membrane	Carbonic anhydrase 9	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 9	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)
cytosol	Carbonic anhydrase 13	Homo sapiens (human)
myelin sheath	Carbonic anhydrase 13	Homo sapiens (human)
intracellular membrane-bounded organelle	Carbonic anhydrase 13	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 13	Homo sapiens (human)
cytosol	Carbonic anhydrase 13	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 3B	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 3B	Rattus norvegicus (Norway rat)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)
plasma membrane	Carbonic anhydrase 14	Homo sapiens (human)
membrane	Carbonic anhydrase 14	Homo sapiens (human)
basolateral plasma membrane	Carbonic anhydrase 14	Homo sapiens (human)
apical plasma membrane	Carbonic anhydrase 14	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 14	Homo sapiens (human)
nucleus	Phospholipase A-2-activating protein	Homo sapiens (human)
cytoplasm	Phospholipase A-2-activating protein	Homo sapiens (human)
synapse	Phospholipase A-2-activating protein	Homo sapiens (human)
extracellular exosome	Phospholipase A-2-activating protein	Homo sapiens (human)
cytoplasm	Phospholipase A-2-activating protein	Homo sapiens (human)
nucleus	Phospholipase A-2-activating protein	Homo sapiens (human)
mitochondrion	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
mitochondrial matrix	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
mitochondrion	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
Elg1 RFC-like complex	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
nucleus	ATPase family AAA domain-containing protein 5	Homo sapiens (human)
cytoplasm	Ataxin-2	Homo sapiens (human)
Golgi apparatus	Ataxin-2	Homo sapiens (human)
trans-Golgi network	Ataxin-2	Homo sapiens (human)
cytosol	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
membrane	Ataxin-2	Homo sapiens (human)
perinuclear region of cytoplasm	Ataxin-2	Homo sapiens (human)
ribonucleoprotein complex	Ataxin-2	Homo sapiens (human)
cytoplasmic stress granule	Ataxin-2	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 12	Homo sapiens (human)
membrane	Carbonic anhydrase 12	Homo sapiens (human)
basolateral plasma membrane	Carbonic anhydrase 12	Homo sapiens (human)
apical plasma membrane	Carbonic anhydrase 12	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 12	Homo sapiens (human)
cytosol	Carbonic anhydrase 1	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 1	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 2	Homo sapiens (human)
cytosol	Carbonic anhydrase 2	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 2	Homo sapiens (human)
myelin sheath	Carbonic anhydrase 2	Homo sapiens (human)
apical part of cell	Carbonic anhydrase 2	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 2	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 2	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 2	Homo sapiens (human)
apical part of cell	Carbonic anhydrase 2	Homo sapiens (human)
extracellular region	Plasma kallikrein	Homo sapiens (human)
extracellular space	Plasma kallikrein	Homo sapiens (human)
plasma membrane	Plasma kallikrein	Homo sapiens (human)
extracellular exosome	Plasma kallikrein	Homo sapiens (human)
cytosol	Carbonic anhydrase 3	Homo sapiens (human)
cytosol	Carbonic anhydrase 3	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 3	Homo sapiens (human)
basolateral plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
rough endoplasmic reticulum	Carbonic anhydrase 4	Homo sapiens (human)
endoplasmic reticulum-Golgi intermediate compartment	Carbonic anhydrase 4	Homo sapiens (human)
Golgi apparatus	Carbonic anhydrase 4	Homo sapiens (human)
trans-Golgi network	Carbonic anhydrase 4	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
external side of plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
cell surface	Carbonic anhydrase 4	Homo sapiens (human)
membrane	Carbonic anhydrase 4	Homo sapiens (human)
apical plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
transport vesicle membrane	Carbonic anhydrase 4	Homo sapiens (human)
secretory granule membrane	Carbonic anhydrase 4	Homo sapiens (human)
brush border membrane	Carbonic anhydrase 4	Homo sapiens (human)
perinuclear region of cytoplasm	Carbonic anhydrase 4	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 4	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 4	Homo sapiens (human)
extracellular region	Carbonic anhydrase 6	Homo sapiens (human)
extracellular space	Carbonic anhydrase 6	Homo sapiens (human)
cytosol	Carbonic anhydrase 6	Homo sapiens (human)
extracellular exosome	Carbonic anhydrase 6	Homo sapiens (human)
extracellular space	Carbonic anhydrase 6	Homo sapiens (human)
Golgi membrane	Adenosine receptor A2a	Rattus norvegicus (Norway rat)
mitochondrial matrix	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
mitochondrion	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
mitochondrion	Carbonic anhydrase 5A, mitochondrial	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 1	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 1	Rattus norvegicus (Norway rat)
cytosol	Carbonic anhydrase 7	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 7	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2A	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2A	Rattus norvegicus (Norway rat)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2B	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2B	Rattus norvegicus (Norway rat)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2C	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2C	Rattus norvegicus (Norway rat)
lysosomal membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
cytosol	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
basal plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
basolateral plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
apical plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
microvillus membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
intracellular membrane-bounded organelle	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
extracellular exosome	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
external side of apical plasma membrane	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
amino acid transport complex	Large neutral amino acids transporter small subunit 1	Homo sapiens (human)
nucleolus	Carbonic anhydrase 9	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 9	Homo sapiens (human)
membrane	Carbonic anhydrase 9	Homo sapiens (human)
basolateral plasma membrane	Carbonic anhydrase 9	Homo sapiens (human)
microvillus membrane	Carbonic anhydrase 9	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 9	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)
cytosol	Carbonic anhydrase 13	Homo sapiens (human)
myelin sheath	Carbonic anhydrase 13	Homo sapiens (human)
intracellular membrane-bounded organelle	Carbonic anhydrase 13	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 13	Homo sapiens (human)
cytosol	Carbonic anhydrase 13	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 3B	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 3B	Rattus norvegicus (Norway rat)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)
plasma membrane	Carbonic anhydrase 14	Homo sapiens (human)
membrane	Carbonic anhydrase 14	Homo sapiens (human)
basolateral plasma membrane	Carbonic anhydrase 14	Homo sapiens (human)
apical plasma membrane	Carbonic anhydrase 14	Homo sapiens (human)
plasma membrane	Carbonic anhydrase 14	Homo sapiens (human)
mitochondrion	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
mitochondrial matrix	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
mitochondrion	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
cytoplasm	Carbonic anhydrase 5B, mitochondrial	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID458784	Activation of Candida albicans beta-carbonic anhydrase Nce103 by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Feb, Volume: 18, Issue:3	Carbonic anhydrase activators: activation of the beta-carbonic anhydrases from the pathogenic fungi Candida albicans and Cryptococcus neoformans with amines and amino acids.
AID722309	Induction of dissipation of diffusion potential in PE/PG lipid vesicles by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID1815475	Activation of human carbonic anhydrase 2 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID318348	Activation of human recombinant CA2 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID261154	Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in murine brain	2006	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 16, Issue:5	Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels.
AID725227	Activation of Sulfurihydrogenibium yellowstonense recombinant CA by stopped flow CO2 hydrase method	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.
AID307896	Activation of human recombinant CA1 by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID725228	Activation of human recombinant CA1 by stopped flow CO2 hydrase method	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.
AID1881860	Inhibition of PKM2 (unknown origin)	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	A Perspective on Medicinal Chemistry Approaches for Targeting Pyruvate Kinase M2.
AID318344	Activation of human recombinant CA2 by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID681174	TP_TRANSPORTER: uptake in Xenopus laevis oocytes	2003	The Journal of biological chemistry, Oct-10, Volume: 278, Issue:41	Identification of monocarboxylate transporter 8 as a specific thyroid hormone transporter.
AID1713511	Inhibition of human LAT1 expressed in HEK293-T-Rex cells assessed as inhibition of [3H]-gabapentin uptake at 200 uM by scintillation counting cis-inhibition assay	2016	Bioorganic & medicinal chemistry letters, 10-15, Volume: 26, Issue:20	LAT1 activity of carboxylic acid bioisosteres: Evaluation of hydroxamic acids as substrates.
AID722305	Binding affinity to PC/Chol lipid vesicles assessed as decrease in acrylamide-induced tryptophan fluorescence quenching at 1 uM	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID1815483	Activation of human carbonic anhydrase 12 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID722329	Cytotoxicity against human RBC assessed as hemolysis at 60 uM	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID681161	TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes	2002	Genomics, Jan, Volume: 79, Issue:1	The human T-type amino acid transporter-1: characterization, gene organization, and chromosomal location.
AID231858	Evaluated for antisickling activity, and ratio was calculated as solubility HbS (g/dL) / solubility HbS control(g/dL) at a concentration of 5 mM	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Design, synthesis, and testing of potential antisickling agents. 5. Disubstituted benzoic acids designed for the donor site and proline salicylates designed for the acceptor site.
AID722311	Cytotoxicity against human RBC assessed as induction of membrane depolarization at up to 16 uM by DiSC3(5) staining-based fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID722304	Binding affinity to PE/PG lipid vesicles assessed as decrease in decrease in acrylamide-induced tryptophan fluorescence quenching at 1 uM	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID464321	Activation of Saccharomyces cerevisiae recombinant Nce103p by stopped flow CO2 hydration method	2010	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 20, Issue:5	Carbonic anhydrase activators: Activation of the beta-carbonic anhydrase from the pathogenic yeast Candida glabrata with amines and amino acids.
AID330661	Effect on life span of Caenorhabditis elegans at 200 uM	2007	Nature, Nov-22, Volume: 450, Issue:7169	An antidepressant that extends lifespan in adult Caenorhabditis elegans.
AID365828	Activation of human recombinant CA2 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 18, Issue:15	Carbonic anhydrase activators: Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines.
AID26797	Partition coefficient (logP)	1987	Journal of medicinal chemistry, Oct, Volume: 30, Issue:10	Quantitative structure-activity relationships of the bitter thresholds of amino acids, peptides, and their derivatives.
AID291060	Activity of human recombinant CA1 at 10 uM by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID722324	Antibacterial activity against Escherichia coli ATCC 10536 after 18 hrs by broth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID291066	Activity of human recombinant CA14 at 10 uM by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID268621	Activation of human recombinant CA2 by CO2 hydrase assay	2006	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 16, Issue:15	Carbonic anhydrase activators: activation of isozyme XIII with amino acids and amines.
AID24265	Ability to undergo in vitro ester hydrolysis in 80% human plasma ( pH of 7.4) at 37 degree Celsius expressed as half life of methyl ester hydrolysis	1987	Journal of medicinal chemistry, Mar, Volume: 30, Issue:3	Esters of N,N-disubstituted 2-hydroxyacetamides as a novel highly biolabile prodrug type for carboxylic acid agents.
AID722323	Antibacterial activity against methicillin-resistant Staphylococcus aureus after 18 hrs by broth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID231856	Evaluated for antisickling activity, and ratio was calculated as solubility HbS (g/dL) / solubility HbS control(g/dL) at a concentration of 10 mM	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Design, synthesis, and testing of potential antisickling agents. 5. Disubstituted benzoic acids designed for the donor site and proline salicylates designed for the acceptor site.
AID462829	Activation of human recombinant CA1 by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Carbonic anhydrase activators. The first activation study of a coral secretory isoform with amino acids and amines.
AID1815476	Activation of human carbonic anhydrase 3 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID409984	Activation of human recombinant CA1 by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID1815481	Activation of human carbonic anhydrase 7 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID1331210	Activation of Burkholderia pseudomallei gamma carbonic anhydrase assessed as Kcat at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID1406004	Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 20 mins by luminescence-based assay	2018	European journal of medicinal chemistry, Aug-05, Volume: 156	Exploration of carboxy pyrazole derivatives: Synthesis, alkaline phosphatase, nucleotide pyrophosphatase/phosphodiesterase and nucleoside triphosphate diphosphohydrolase inhibition studies with potential anticancer profile.
AID781326	pKa (acid-base dissociation constant) as determined by Avdeef ref: DOI: 10.1002/047145026X	2014	Pharmaceutical research, Apr, Volume: 31, Issue:4	Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID464319	Activation of human recombinant carbonic anhydrase isoenzyme 2 by stopped flow CO2 hydration method	2010	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 20, Issue:5	Carbonic anhydrase activators: Activation of the beta-carbonic anhydrase from the pathogenic yeast Candida glabrata with amines and amino acids.
AID481444	Octanol-water partition coefficient, log P of the compound	2010	Journal of medicinal chemistry, May-13, Volume: 53, Issue:9	How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability?
AID375787	Activation of membrane associated mouse recombinant carbonic anhydrase 15 isoform by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 19, Issue:13	Carbonic anhydrase activators. Activation of the membrane-associated isoform XV with amino acids and amines.
AID481441	Aqueous diffusivity at 37C	2010	Journal of medicinal chemistry, May-13, Volume: 53, Issue:9	How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability?
AID462830	Activation of human recombinant CA2by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Carbonic anhydrase activators. The first activation study of a coral secretory isoform with amino acids and amines.
AID307893	Activity of human recombinant CA1 at 10 uM by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID481442	Transcellular permeability at pH 6.5 calculated from in vitro P app values in Caco-2 and/or MDCK cells	2010	Journal of medicinal chemistry, May-13, Volume: 53, Issue:9	How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability?
AID231859	Evaluated for antisickling activity, and ratio was calculated as solubility HbS compound (g/dL) / solubility HbS control(g/dL) at a concentration of 40 mM	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Design, synthesis, and testing of potential antisickling agents. 5. Disubstituted benzoic acids designed for the donor site and proline salicylates designed for the acceptor site.
AID722330	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced TNFalpha secretion at 1.5 to 4.5 uM after 12 hrs by ELISA	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID681113	TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes	2001	The Journal of biological chemistry, May-18, Volume: 276, Issue:20	Expression cloning of a Na+-independent aromatic amino acid transporter with structural similarity to H+/monocarboxylate transporters.
AID21129	Solubility assay expressed as [HbSdrug/HbS control] at 10 mM concentration	1983	Journal of medicinal chemistry, Apr, Volume: 26, Issue:4	Design, synthesis, and testing of antisickling agents. 2. Proline derivatives designed for the donor site.
AID725229	Activation of human recombinant CA2 by stopped flow CO2 hydrase method	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.
AID291065	Activation of human recombinant CA7 by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID1303218	Substrate activity at human LAT1 expressed in HEK cells assessed as efflux rate of [3H]-gabapentin at 200 uM after 5 to 180 secs by scintillation counting based trans-stimulation assay	2016	Bioorganic & medicinal chemistry letters, 06-01, Volume: 26, Issue:11	LAT-1 activity of meta-substituted phenylalanine and tyrosine analogs.
AID409992	Activation of Methanosarcina thermophila cobalt(2)-derived gamma-class CA by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID722321	Antibacterial activity against Klebsiella pneumoniae ATCC 27736 after 18 hrs by broth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID1422554	Selectivity index, ratio of IC50 for human TNAP expressed in African green monkey COS7 cell membranes to IC50 for human IAP expressed in African green monkey COS7 cell membranes	2018	European journal of medicinal chemistry, Nov-05, Volume: 159	Hybrid compounds from chalcone and 1,2-benzothiazine pharmacophores as selective inhibitors of alkaline phosphatase isozymes.
AID21130	Solubility assay expressed as [HbSdrug/HbS control] at 20 mM concentration	1983	Journal of medicinal chemistry, Apr, Volume: 26, Issue:4	Design, synthesis, and testing of antisickling agents. 2. Proline derivatives designed for the donor site.
AID1398359	Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis r	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID365827	Activation of human recombinant CA1 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 18, Issue:15	Carbonic anhydrase activators: Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines.
AID1815479	Activation of human carbonic anhydrase 5B by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID722308	Induction of dissipation of diffusion potential in PC/Chol lipid vesicles by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID1435720	Inhibition of calf intestinal alkaline phosphatase using CDP-star as substrate preincubated for 5 to 7 mins followed by substrate addition measured after 15 mins by spectrophotometric method	2017	European journal of medicinal chemistry, Jan-27, Volume: 126	Synthesis, alkaline phosphatase inhibition studies and molecular docking of novel derivatives of 4-quinolones.
AID1713510	Substrate activity at human LAT1 expressed in HEK293-T-Rex cells assessed as [3H]-gabapentin efflux preincubated for 30 mins followed by treated at 200 uM by scintillation counting trans-stimulation assay relative to control	2016	Bioorganic & medicinal chemistry letters, 10-15, Volume: 26, Issue:20	LAT1 activity of carboxylic acid bioisosteres: Evaluation of hydroxamic acids as substrates.
AID481440	Dissociation constant, pKa of the compound	2010	Journal of medicinal chemistry, May-13, Volume: 53, Issue:9	How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability?
AID1331204	Activation of recombinant human carbonic anhydrase 2 at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID291061	Activation of human recombinant CA1 by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID1331203	Activation of recombinant human carbonic anhydrase 1 at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID291063	Activation of human recombinant CA2 by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID22013	Solubility ratio ([HbS+drug (20 mM)]/[HbS-drug]	1984	Journal of medicinal chemistry, Aug, Volume: 27, Issue:8	Design, synthesis, and testing of potential antisickling agents. 4. Structure-activity relationships of benzyloxy and phenoxy acids.
AID365829	Activation of human recombinant CA3 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 18, Issue:15	Carbonic anhydrase activators: Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines.
AID1815477	Activation of human carbonic anhydrase 4 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID722307	Binding affinity to PE/PG lipid vesicles assessed as induction of large blue shift at 1 uM by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID305777	Activation of human recombinant carbonic anhydrase 5B by stopped-flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 17, Issue:5	Carbonic anhydrase activators: an activation study of the human mitochondrial isoforms VA and VB with amino acids and amines.
AID462831	Activation of human full length CA6 by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Carbonic anhydrase activators. The first activation study of a coral secretory isoform with amino acids and amines.
AID1588255	Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis r	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	l-Type amino acid transporter 1 activity of 1,2,3-triazolyl analogs of l-histidine and l-tryptophan.
AID722038	Binding affinity to LPS assessed as inhibition of LPS-induced LAL enzyme activation at 18 uM after 30 mins by spectrophotometric analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID414330	Activation of Methanothermobacter thermautotrophicus recombinant Cab by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 19, Issue:6	Carbonic anhydrase activators: activation of the beta-carbonic anhydrase Nce103 from the yeast Saccharomyces cerevisiae with amines and amino acids.
AID722295	Binding affinity to LPS assessed as increase in helical structure at 36 uM by circular dichroism analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID722317	Antifungal activity against Sporothrix schenckii after 72 hrs by NCCLS microbroth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID464322	Activation of Candida glabrata recombinant carbonic anhydrase by stopped flow CO2 hydration method	2010	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 20, Issue:5	Carbonic anhydrase activators: Activation of the beta-carbonic anhydrase from the pathogenic yeast Candida glabrata with amines and amino acids.
AID409988	Activation of Methanobacterium thermoautotrophicum beta-class CA by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID722318	Antifungal activity against Candida parapsilosis ATCC 22019 after 48 hrs by NCCLS microbroth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID257047	Activation constant against recombinant human CA IV isozyme by the esterase method	2005	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 15, Issue:23	Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators.
AID307895	Activity of human recombinant CA6 at 10 uM by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID481446	Effective permeability across human jejunum	2010	Journal of medicinal chemistry, May-13, Volume: 53, Issue:9	How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability?
AID291067	Activation of of human recombinant CA14 by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID483884	Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting	2010	Bioorganic & medicinal chemistry letters, Jun-15, Volume: 20, Issue:12	Regiospecific and conformationally restrained analogs of melphalan and DL-2-NAM-7 and their affinities for the large neutral amino acid transporter (system LAT1) of the blood-brain barrier.
AID231855	Compound was evaluated for antisickling activity, and ratio was calculated as solubility HbS compound (g/dL) / solubility HbS control(g/dL) at a concentration of 40 mM (for 173 assays)	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Design, synthesis, and testing of potential antisickling agents. 5. Disubstituted benzoic acids designed for the donor site and proline salicylates designed for the acceptor site.
AID307897	Activation of human recombinant CA2 by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID681145	TP_TRANSPORTER: uptake in Xenopus laevis oocytes	2002	Genomics, Jan, Volume: 79, Issue:1	The human T-type amino acid transporter-1: characterization, gene organization, and chromosomal location.
AID722322	Antibacterial activity against Pseudomonas aeruginosa ATCC BAA-427 after 18 hrs by broth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID50341	Maximal activatory effect against human carbonic anhydrase I (hCA I)	2003	Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16	Carbonic anhydrase activators. The selective serotonin reuptake inhibitors fluoxetine, sertraline and citalopram are strong activators of isozymes I and II.
AID1444565	Inhibition of human TNAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometric method	2017	European journal of medicinal chemistry, May-05, Volume: 131	Coumarin sulfonates: New alkaline phosphatase inhibitors; in vitro and in silico studies.
AID268620	Activation of human recombinant CA1 by CO2 hydrase assay	2006	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 16, Issue:15	Carbonic anhydrase activators: activation of isozyme XIII with amino acids and amines.
AID233318	Bitter threshold value	1987	Journal of medicinal chemistry, Oct, Volume: 30, Issue:10	Quantitative structure-activity relationships of the bitter thresholds of amino acids, peptides, and their derivatives.
AID1398362	Binding affinity to LAT1 (unknown origin) by in-vitro cell uptake assay	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID722314	Drug uptake in Escherichia coli ATCC 10536 assessed as membrane localization at 3 uM after 30 mins by confocal microscopic analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID91213	Antigelling activity expressed as ratio of soluble sickle hemoglobin (HbS) of compound (g/dL) and that of control at 5 mM concentration	1987	Journal of medicinal chemistry, Nov, Volume: 30, Issue:11	Design, synthesis, and testing of potential antisickling agents. 10. (2,2-Dimethylchroman-6-yl)alkanoic acids.
AID1398363	Substrate activity at recombinant human LAT1 expressed in Xenopus laevis oocytes assessed as Km by measuring L-[14C]-leucine uptake by Eadie-Hofstee plot method	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID722302	Binding affinity to PE/PG lipid vesicles assessed as increase in helical structure at 36 uM by circular dichroism analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID1398360	Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake at 200 uM preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID722297	Antiinflammatory activity in mouse RAW264.7 cells assessed as downregulation of LPS-induced iNOS2 expression at 4.5 uM after 24 hrs by Western blotting analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID722331	Drug uptake in human RBC assessed as membrane localization at 9 uM after 10 to 30 mins by confocal microscopic analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID722320	Antifungal activity against Candida albicans after 48 hrs by NCCLS microbroth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID85636	Control value of dHbS(no. of runs=2)	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Design, synthesis, and testing of potential antisickling agents. 5. Disubstituted benzoic acids designed for the donor site and proline salicylates designed for the acceptor site.
AID459065	Inhibition of TNAP by analogous luminescence assay	2010	Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2	Design and synthesis of selective inhibitors of placental alkaline phosphatase.
AID291064	Activity of human recombinant CA7 at 10 uM by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID722293	Binding affinity to LPS assessed as inhibition of LPS-induced LAL enzyme activation at 4.5 uM after 30 mins by spectrophotometric analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID691711	Activity of human recombinant CA2 cytosolic isoform at 10 uM after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID318347	Activation of human recombinant CA1 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID1402702	Inhibition of human IAP expressed in COS7 cells preincubated for 5 to 7 mins followed by CDP-star substrate addition measured after 15 to 20 mins by luminescence assay
AID305776	Activation of human recombinant carbonic anhydrase 5A by stopped-flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 17, Issue:5	Carbonic anhydrase activators: an activation study of the human mitochondrial isoforms VA and VB with amino acids and amines.
AID722296	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced IL6 secretion at 1.5 to 4.5 uM after 12 hrs by ELISA	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID459066	Inhibition of IAP by analogous luminescence assay	2010	Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2	Design and synthesis of selective inhibitors of placental alkaline phosphatase.
AID464320	Activation of archaea Methanobacterium thermoautotrophicum recombinant carbonic anhydrase by stopped flow CO2 hydration method	2010	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 20, Issue:5	Carbonic anhydrase activators: Activation of the beta-carbonic anhydrase from the pathogenic yeast Candida glabrata with amines and amino acids.
AID725226	Activation of Sulfurihydrogenibium azorense recombinant alpha carbonic anhydrase by stopped flow CO2 hydrase method	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.
AID91210	Antigelling activity expressed as ratio of soluble sickle hemoglobin (HbS) of compound (g/dL) and that of control at 20 mM concentration.	1987	Journal of medicinal chemistry, Nov, Volume: 30, Issue:11	Design, synthesis, and testing of potential antisickling agents. 10. (2,2-Dimethylchroman-6-yl)alkanoic acids.
AID1397320	Activation of human CA2 by stopped-flow CO2 hydration assay
AID722326	Antibacterial activity against Staphylococcus epidermidis NRRL B-4268 after 18 hrs by broth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID318349	Activation of human recombinant CA9 catalytic domain at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID481439	Absolute bioavailability in human	2010	Journal of medicinal chemistry, May-13, Volume: 53, Issue:9	How well can the Caco-2/Madin-Darby canine kidney models predict effective human jejunal permeability?
AID1815478	Activation of human carbonic anhydrase 5A by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID1397322	Activation of Trypanosoma cruzi CA preincubated for 15 mins followed by CO2 addition by stopped-flow assay
AID1815485	Activation of human carbonic anhydrase 14 by stopped flow CO2 hydrase assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID409990	Activation of Methanosarcina thermophila Zinc(2)-derived gamma-class CA by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID462832	Activation of Stylophora pistillata carbonic anhydrase STPCA by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Carbonic anhydrase activators. The first activation study of a coral secretory isoform with amino acids and amines.
AID1397321	Activation of Leishmania donovani chagasi CA preincubated for 15 mins followed by CO2 addition by stopped-flow assay
AID330659	Effect on life span of Caenorhabditis elegans at 50 uM	2007	Nature, Nov-22, Volume: 450, Issue:7169	An antidepressant that extends lifespan in adult Caenorhabditis elegans.
AID1815474	Activation of human carbonic anhydrase 1 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID365830	Activation of human recombinant truncated CA4 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 18, Issue:15	Carbonic anhydrase activators: Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines.
AID722325	Antibacterial activity against Bacillus subtilis ATCC 6633 after 18 hrs by broth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID1588257	Trans-stimulation of human LAT1 expressed in TREx HEK293 cells assessed as induction of [3H]-gabapentin efflux at 200 uM after 3 mins by scintillation counting analysis	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	l-Type amino acid transporter 1 activity of 1,2,3-triazolyl analogs of l-histidine and l-tryptophan.
AID691713	Activity of human recombinant CA1 cytosolic isoform after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID22148	Solubility ratio ([HbS+drug (40 mM)]/[HbS-drug])	1984	Journal of medicinal chemistry, Aug, Volume: 27, Issue:8	Design, synthesis, and testing of potential antisickling agents. 4. Structure-activity relationships of benzyloxy and phenoxy acids.
AID722310	Bactericidal activity against Staphylococcus aureus ATCC 9144 assessed as induction of membrane depolarization at up to 7 uM by DiSC3(5) staining-based fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID318345	Activation of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID22149	Solubility ratio ([HbS+drug (5 mM)]/[HbS-drug])	1984	Journal of medicinal chemistry, Aug, Volume: 27, Issue:8	Design, synthesis, and testing of potential antisickling agents. 4. Structure-activity relationships of benzyloxy and phenoxy acids.
AID691710	Activity of human recombinant CA1 cytosolic isoform at 10 uM after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID1331206	Activation of Burkholderia pseudomallei gamma carbonic anhydrase at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID500825	Induction of nitrogen-starved wild type sigma1278b yeast Gap1-mediated trehalose activation at 10 mM	2009	Nature chemical biology, Jan, Volume: 5, Issue:1	Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor.
AID22012	Solubility ratio ([HbS+drug (10 mM)]/[HbS-drug])	1984	Journal of medicinal chemistry, Aug, Volume: 27, Issue:8	Design, synthesis, and testing of potential antisickling agents. 4. Structure-activity relationships of benzyloxy and phenoxy acids.
AID231857	Evaluated for antisickling activity, and ratio was calculated as solubility HbS (g/dL) / solubility HbS control(g/dL) at a concentration of 20 mM	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Design, synthesis, and testing of potential antisickling agents. 5. Disubstituted benzoic acids designed for the donor site and proline salicylates designed for the acceptor site.
AID1100839	Induction of disease resistance in Oryza sativa Nipponbare (rice) assessed as increase in sakuranetin level in press-injured leaves at 0.1% after 48 hr by HPLC-MS-MS analysis	2000	Bioscience, biotechnology, and biochemistry, Mar, Volume: 64, Issue:3	Methionine-induced phytoalexin production in rice leaves.
AID91211	Antigelling activity expressed as ratio of soluble sickle hemoglobin (HbS) of compound (g/dL) and that of control at 40 mM concentration	1987	Journal of medicinal chemistry, Nov, Volume: 30, Issue:11	Design, synthesis, and testing of potential antisickling agents. 10. (2,2-Dimethylchroman-6-yl)alkanoic acids.
AID722298	Antiinflammatory activity in mouse RAW264.7 cells assessed as downregulation of LPS-induced TNFalpha expression at 4.5 uM after 24 hrs by Western blotting analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID375786	Activation of human recombinant carbonic anhydrase 4 lacking 20 amino terminal residues by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 19, Issue:13	Carbonic anhydrase activators. Activation of the membrane-associated isoform XV with amino acids and amines.
AID722300	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced NO production at 4.5 uM by Griess method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID458787	Activation of Cryptococcus neoformans beta-carbonic anhydrase Can2 by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Feb, Volume: 18, Issue:3	Carbonic anhydrase activators: activation of the beta-carbonic anhydrases from the pathogenic fungi Candida albicans and Cryptococcus neoformans with amines and amino acids.
AID47718	Maximal activatory effect against human carbonic anhydrase II (hCA II)	2003	Bioorganic & medicinal chemistry letters, Aug-18, Volume: 13, Issue:16	Carbonic anhydrase activators. The selective serotonin reuptake inhibitors fluoxetine, sertraline and citalopram are strong activators of isozymes I and II.
AID91208	Antigelling activity expressed as ratio of soluble sickle hemoglobin (HbS) of compound (g/dL) and that of control at 10 mM concentration.	1987	Journal of medicinal chemistry, Nov, Volume: 30, Issue:11	Design, synthesis, and testing of potential antisickling agents. 10. (2,2-Dimethylchroman-6-yl)alkanoic acids.
AID722327	Antibacterial activity against Staphylococcus aureus ATCC 9144 after 18 hrs by broth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID722294	Binding affinity to FITC-tagged LPS assessed as induction of disintegration up to 40 uM by circular dichroism analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID1398361	Trans-stimulation of human LAT1 expressed in TREx HEK293 cells assessed as induction of [3H]-gabapentin efflux at 200 uM after 3 mins by scintillation counting analysis relative to L-phenylalanine	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID21131	Solubility assay expressed as [HbSdrug/HbS control] at 40 mM concentration	1983	Journal of medicinal chemistry, Apr, Volume: 26, Issue:4	Design, synthesis, and testing of antisickling agents. 2. Proline derivatives designed for the donor site.
AID1422553	Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by substrate addition and measured after 15 to 20 mins by spectrophotometric method	2018	European journal of medicinal chemistry, Nov-05, Volume: 159	Hybrid compounds from chalcone and 1,2-benzothiazine pharmacophores as selective inhibitors of alkaline phosphatase isozymes.
AID318346	Activation of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID1397319	Activation of human CA1 by stopped-flow CO2 hydration assay
AID722292	Binding affinity to LPS assessed as inhibition of LPS-induced LAL enzyme activation at 9 uM after 30 mins by spectrophotometric analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID318350	Activation of human recombinant CA12 catalytic domain at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID1195080	Inhibition of calf intestinal alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectrophotometric method	2015	Bioorganic & medicinal chemistry, May-15, Volume: 23, Issue:10	Diarylsulfonamides and their bioisosteres as dual inhibitors of alkaline phosphatase and carbonic anhydrase: Structure activity relationship and molecular modelling studies.
AID409993	Activation of human recombinant CA3 by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID414331	Activation of yeast recombinant CA by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 19, Issue:6	Carbonic anhydrase activators: activation of the beta-carbonic anhydrase Nce103 from the yeast Saccharomyces cerevisiae with amines and amino acids.
AID85631	Evaluated for antisickling activity, and initial HbS concentration was reported, values from different experiments (no. of runs=2)	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Design, synthesis, and testing of potential antisickling agents. 5. Disubstituted benzoic acids designed for the donor site and proline salicylates designed for the acceptor site.
AID409986	Activation of human recombinant CA2 by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID1422552	Inhibition of human TNAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by substrate addition and measured after 15 to 20 mins by spectrophotometric method	2018	European journal of medicinal chemistry, Nov-05, Volume: 159	Hybrid compounds from chalcone and 1,2-benzothiazine pharmacophores as selective inhibitors of alkaline phosphatase isozymes.
AID691715	Activity of Sulfurihydrogenibium yellowstonense YO3AOP1 recombinant CA expressed in Escherichia coli BL21(DE3) after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID691714	Activity of human recombinant CA2 cytosolic isoform after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID21132	Solubility assay expressed as [HbSdrug/HbS control] at 5 mM concentration	1983	Journal of medicinal chemistry, Apr, Volume: 26, Issue:4	Design, synthesis, and testing of antisickling agents. 2. Proline derivatives designed for the donor site.
AID722328	Cytotoxicity against mouse 3T3 cells assessed as cell viability up to 25 uM by MTT assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID318343	Activation of human recombinant CA1 by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID21145	Solubility of Haemoglobin S (HbS) concentration after addition of acid and dithionite	1984	Journal of medicinal chemistry, Aug, Volume: 27, Issue:8	Design, synthesis, and testing of potential antisickling agents. 4. Structure-activity relationships of benzyloxy and phenoxy acids.
AID24263	Ability to undergo in vitro ester hydrolysis in 80% human plasma ( pH of 7.4) at 37 degree Celsius expressed as half life of N,N-diethylglycolamide ester hydrolysis	1987	Journal of medicinal chemistry, Mar, Volume: 30, Issue:3	Esters of N,N-disubstituted 2-hydroxyacetamides as a novel highly biolabile prodrug type for carboxylic acid agents.
AID291062	Activity of human recombinant CA2 at 10 uM by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID1815480	Activation of human carbonic anhydrase 6 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID1662842	Inhibition of calf intestinal alkaline phosphatase	2020	Bioorganic & medicinal chemistry letters, 07-01, Volume: 30, Issue:13	An efficient synthetic approach toward a sporadic heterocyclic scaffold: 1,3-Oxathiol-2-ylidenes; alkaline phosphatase inhibition and molecular docking studies.
AID1281543	Activation of Malassezia globosa beta-carbonic anhydrase incubated for 15 mins prior to testing by stopped flow CO2 hydrase method	2016	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 26, Issue:5	Carbonic anhydrase activators: Activation of the β-carbonic anhydrase from Malassezia globosa with amines and amino acids.
AID1815484	Activation of human carbonic anhydrase 13 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID1588256	Cis-inhibition of human LAT1 expressed in TREx HEK293 cells assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis	2019	Bioorganic & medicinal chemistry letters, 08-15, Volume: 29, Issue:16	l-Type amino acid transporter 1 activity of 1,2,3-triazolyl analogs of l-histidine and l-tryptophan.
AID414329	Activation of human recombinant CA2 by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 19, Issue:6	Carbonic anhydrase activators: activation of the beta-carbonic anhydrase Nce103 from the yeast Saccharomyces cerevisiae with amines and amino acids.
AID722319	Antifungal activity against Cryptococcus neoformans after 72 hrs by NCCLS microbroth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID307898	Activation of human recombinant CA6 by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID691712	Activity of Sulfurihydrogenibium yellowstonense YO3AOP1 recombinant CA expressed in Escherichia coli BL21(DE3) at 10 uM after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID459064	Inhibition of PLAP by analogous luminescence assay	2010	Bioorganic & medicinal chemistry, Jan-15, Volume: 18, Issue:2	Design and synthesis of selective inhibitors of placental alkaline phosphatase.
AID1331205	Activation of recombinant Methanosarcina thermophila gamma carbonic anhydrase at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID722312	Bactericidal activity against Escherichia coli ATCC 10536 assessed as induction of membrane damage at 5 uM after 30 mins by propidium iodide staining-based flow cytometric analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID722313	Cytotoxicity against human RBC assessed as induction of membrane damage at 25 uM after 5 mins by annexin V-FITC staining-based FACS flow cytometric analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID21143	Solubility of Deoxyhemoglobin S (dHbS) concentration after addition dithionite as control	1984	Journal of medicinal chemistry, Aug, Volume: 27, Issue:8	Design, synthesis, and testing of potential antisickling agents. 4. Structure-activity relationships of benzyloxy and phenoxy acids.
AID722306	Binding affinity to PC/Chol lipid vesicles assessed as induction of large blue shift at 1 uM by fluorescence assay	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID1815482	Activation of human carbonic anhydrase 9 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID1303219	Inhibition of human LAT1 expressed in HEK cells assessed as reduction in uptake of [3H]-gabapentin at 200 uM after 3 mins by scintillation counting based cis-inhibition assay	2016	Bioorganic & medicinal chemistry letters, 06-01, Volume: 26, Issue:11	LAT-1 activity of meta-substituted phenylalanine and tyrosine analogs.
AID268622	Activation of mouse recombinant CA13 by CO2 hydrase method	2006	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 16, Issue:15	Carbonic anhydrase activators: activation of isozyme XIII with amino acids and amines.
AID722315	Antifungal activity against Aspergillus fumigatus after 72 hrs by NCCLS microbroth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID722316	Antifungal activity against Trichophyton mentagrophytes after 96 hrs by NCCLS microbroth dilution method	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID307894	Activity of human recombinant CA2 at 10 uM by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID722303	Binding affinity to PC/Chol lipid vesicles assessed as increase in helical structure at 36 uM by circular dichroism analysis	2013	Journal of medicinal chemistry, Feb-14, Volume: 56, Issue:3	Characterization of antimicrobial, cytotoxic, and antiendotoxin properties of short peptides with different hydrophobic amino acids at "a" and "d" positions of a heptad repeat sequence.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1802638	Alkaline Phosphatase Inhibition Assay from Article 10.1111/cbdd.12861: \\Isonicotinohydrazones as inhibitors of alkaline phosphatase and ecto-5'-nucleotidase.\\	2017	Chemical biology & drug design, 03, Volume: 89, Issue:3	Isonicotinohydrazones as inhibitors of alkaline phosphatase and ecto-5'-nucleotidase.
AID1802586	Alkaline Phosphatase Inhibition Assay from Article 10.1016/j.bioorg.2017.01.008: \\Facile dimethyl amino group triggered cyclic sulfonamides synthesis and evaluation as alkaline phosphatase inhibitors.\\	2017	Bioorganic chemistry, 04, Volume: 71	Facile dimethyl amino group triggered cyclic sulfonamides synthesis and evaluation as alkaline phosphatase inhibitors.
AID1802592	Alkaline Phosphatase Assay from Article 10.1016/j.bioorg.2017.01.003: \\Synthesis, characterization and biological evaluation of novel chalcone sulfonamide hybrids as potent intestinal alkaline phosphatase inhibitors.\\	2017	Bioorganic chemistry, 02, Volume: 70	Synthesis, characterization and biological evaluation of novel chalcone sulfonamide hybrids as potent intestinal alkaline phosphatase inhibitors.
AID1811	Experimentally measured binding affinity data derived from PDB	2001	Proteins, Sep-01, Volume: 44, Issue:4	Interactions of Streptomyces griseus aminopeptidase with amino acid reaction products and their implications toward a catalytic mechanism.
AID977610	Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB	2001	Proteins, Sep-01, Volume: 44, Issue:4	Interactions of Streptomyces griseus aminopeptidase with amino acid reaction products and their implications toward a catalytic mechanism.
AID1345209	Human GPR139 (Class A Orphans)	2014	Journal of chemical information and modeling, Jun-23, Volume: 54, Issue:6	Computer-aided discovery of aromatic l-α-amino acids as agonists of the orphan G protein-coupled receptor GPR139.
AID1345209	Human GPR139 (Class A Orphans)	2015	Molecular pharmacology, Nov, Volume: 88, Issue:5	GPR139, an Orphan Receptor Highly Enriched in the Habenula and Septum, Is Activated by the Essential Amino Acids L-Tryptophan and L-Phenylalanine.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1224817	Assays to identify small molecules inhibitory for eIF4E expression	2015	Chemistry & biology, Jul-23, Volume: 22, Issue:7	Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID307894	Activity of human recombinant CA2 at 10 uM by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID307898	Activation of human recombinant CA6 by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID1331210	Activation of Burkholderia pseudomallei gamma carbonic anhydrase assessed as Kcat at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID291062	Activity of human recombinant CA2 at 10 uM by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID1398363	Substrate activity at recombinant human LAT1 expressed in Xenopus laevis oocytes assessed as Km by measuring L-[14C]-leucine uptake by Eadie-Hofstee plot method	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID725229	Activation of human recombinant CA2 by stopped flow CO2 hydrase method	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.
AID436243	Antiinflammatory activity against trinitrobenzenesulfonic acid-induced colitis in Wistar rat assessed as decrease in appearance of mucosal abscess at 100 mg/kg administered rectally measured 24 hrs after last dose on day 11 by haematoxylin/eosin staining	2009	European journal of medicinal chemistry, Oct, Volume: 44, Issue:10	Synthesis, kinetic studies and pharmacological evaluation of mutual azo prodrugs of 5-aminosalicylic acid for colon-specific drug delivery in inflammatory bowel disease.
AID1815484	Activation of human carbonic anhydrase 13 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID365828	Activation of human recombinant CA2 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 18, Issue:15	Carbonic anhydrase activators: Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines.
AID415828	Antiinflammatory activity against TNBS-induced Wistar rat colitis model assessed as decrease in ratio of colon to body weight treated rectally 3 days after TNBS induction for 8 days measured after 24 hrs of last treatment	2009	European journal of medicinal chemistry, Jan, Volume: 44, Issue:1	Colon-specific mutual amide prodrugs of 4-aminosalicylic acid for their mitigating effect on experimental colitis in rats.
AID462830	Activation of human recombinant CA2by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Carbonic anhydrase activators. The first activation study of a coral secretory isoform with amino acids and amines.
AID436244	Antiinflammatory activity against trinitrobenzenesulfonic acid-induced colitis in Wistar rat assessed as decrease in inflammatory cell infiltration at 100 mg/kg administered rectally measured 24 hrs after last dose on day 11 by haematoxylin/eosin staining	2009	European journal of medicinal chemistry, Oct, Volume: 44, Issue:10	Synthesis, kinetic studies and pharmacological evaluation of mutual azo prodrugs of 5-aminosalicylic acid for colon-specific drug delivery in inflammatory bowel disease.
AID462832	Activation of Stylophora pistillata carbonic anhydrase STPCA by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Carbonic anhydrase activators. The first activation study of a coral secretory isoform with amino acids and amines.
AID291067	Activation of of human recombinant CA14 by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID409993	Activation of human recombinant CA3 by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID1331204	Activation of recombinant human carbonic anhydrase 2 at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1815475	Activation of human carbonic anhydrase 2 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID464322	Activation of Candida glabrata recombinant carbonic anhydrase by stopped flow CO2 hydration method	2010	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 20, Issue:5	Carbonic anhydrase activators: Activation of the beta-carbonic anhydrase from the pathogenic yeast Candida glabrata with amines and amino acids.
AID268622	Activation of mouse recombinant CA13 by CO2 hydrase method	2006	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 16, Issue:15	Carbonic anhydrase activators: activation of isozyme XIII with amino acids and amines.
AID1815482	Activation of human carbonic anhydrase 9 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID691715	Activity of Sulfurihydrogenibium yellowstonense YO3AOP1 recombinant CA expressed in Escherichia coli BL21(DE3) after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID464321	Activation of Saccharomyces cerevisiae recombinant Nce103p by stopped flow CO2 hydration method	2010	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 20, Issue:5	Carbonic anhydrase activators: Activation of the beta-carbonic anhydrase from the pathogenic yeast Candida glabrata with amines and amino acids.
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID436238	Antiinflammatory activity against trinitrobenzenesulfonic acid-induced colitis in Wistar rat at 100 mg/kg, administered rectally in presence of 5-aminosalicylic acid	2009	European journal of medicinal chemistry, Oct, Volume: 44, Issue:10	Synthesis, kinetic studies and pharmacological evaluation of mutual azo prodrugs of 5-aminosalicylic acid for colon-specific drug delivery in inflammatory bowel disease.
AID436245	Antiinflammatory activity against trinitrobenzenesulfonic acid-induced colitis in Wistar rat assessed as decrease in appearance of mucosal abscess at 100 mg/kg administered rectally measured 24 hrs after last dose on day 11 by haematoxylin/eosin staining	2009	European journal of medicinal chemistry, Oct, Volume: 44, Issue:10	Synthesis, kinetic studies and pharmacological evaluation of mutual azo prodrugs of 5-aminosalicylic acid for colon-specific drug delivery in inflammatory bowel disease.
AID1815476	Activation of human carbonic anhydrase 3 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID318347	Activation of human recombinant CA1 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID1331203	Activation of recombinant human carbonic anhydrase 1 at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID417726	Inhibition of TNBS-induced morphological change in rectaly administered Wistar rat colon	2009	European journal of medicinal chemistry, Jan, Volume: 44, Issue:1	Colon-specific mutual amide prodrugs of 4-aminosalicylic acid for their mitigating effect on experimental colitis in rats.
AID1815479	Activation of human carbonic anhydrase 5B by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID681113	TP_TRANSPORTER: inhibition of L-tryptophan uptake in Xenopus laevis oocytes	2001	The Journal of biological chemistry, May-18, Volume: 276, Issue:20	Expression cloning of a Na+-independent aromatic amino acid transporter with structural similarity to H+/monocarboxylate transporters.
AID691713	Activity of human recombinant CA1 cytosolic isoform after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID414329	Activation of human recombinant CA2 by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 19, Issue:6	Carbonic anhydrase activators: activation of the beta-carbonic anhydrase Nce103 from the yeast Saccharomyces cerevisiae with amines and amino acids.
AID318345	Activation of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID268621	Activation of human recombinant CA2 by CO2 hydrase assay	2006	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 16, Issue:15	Carbonic anhydrase activators: activation of isozyme XIII with amino acids and amines.
AID464319	Activation of human recombinant carbonic anhydrase isoenzyme 2 by stopped flow CO2 hydration method	2010	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 20, Issue:5	Carbonic anhydrase activators: Activation of the beta-carbonic anhydrase from the pathogenic yeast Candida glabrata with amines and amino acids.
AID1815478	Activation of human carbonic anhydrase 5A by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID436235	Antiinflammatory activity against trinitrobenzenesulfonic acid-induced colitis in Wistar rat at 100 mg/kg, administered rectally	2009	European journal of medicinal chemistry, Oct, Volume: 44, Issue:10	Synthesis, kinetic studies and pharmacological evaluation of mutual azo prodrugs of 5-aminosalicylic acid for colon-specific drug delivery in inflammatory bowel disease.
AID307893	Activity of human recombinant CA1 at 10 uM by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID1281543	Activation of Malassezia globosa beta-carbonic anhydrase incubated for 15 mins prior to testing by stopped flow CO2 hydrase method	2016	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 26, Issue:5	Carbonic anhydrase activators: Activation of the β-carbonic anhydrase from Malassezia globosa with amines and amino acids.
AID681145	TP_TRANSPORTER: uptake in Xenopus laevis oocytes	2002	Genomics, Jan, Volume: 79, Issue:1	The human T-type amino acid transporter-1: characterization, gene organization, and chromosomal location.
AID725228	Activation of human recombinant CA1 by stopped flow CO2 hydrase method	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.
AID1815480	Activation of human carbonic anhydrase 6 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID318350	Activation of human recombinant CA12 catalytic domain at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID409992	Activation of Methanosarcina thermophila cobalt(2)-derived gamma-class CA by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID291063	Activation of human recombinant CA2 by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID1815483	Activation of human carbonic anhydrase 12 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID462831	Activation of human full length CA6 by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Carbonic anhydrase activators. The first activation study of a coral secretory isoform with amino acids and amines.
AID1397322	Activation of Trypanosoma cruzi CA preincubated for 15 mins followed by CO2 addition by stopped-flow assay
AID462829	Activation of human recombinant CA1 by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Mar-15, Volume: 18, Issue:6	Carbonic anhydrase activators. The first activation study of a coral secretory isoform with amino acids and amines.
AID417724	Antiinflammatory activity against TNBS-induced Wistar rat colitis model assessed as decrease in severity of inflammation treated rectally 3 days after TNBS induction for 8 days measured after 24 hrs of last treatment	2009	European journal of medicinal chemistry, Jan, Volume: 44, Issue:1	Colon-specific mutual amide prodrugs of 4-aminosalicylic acid for their mitigating effect on experimental colitis in rats.
AID291061	Activation of human recombinant CA1 by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID291066	Activity of human recombinant CA14 at 10 uM by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID417721	Antiinflammatory activity against TNBS-induced Wistar rat colitis model assessed as decrease in severity of inflammation treated po 3 days after TNBS induction measured on day 7	2009	European journal of medicinal chemistry, Jan, Volume: 44, Issue:1	Colon-specific mutual amide prodrugs of 4-aminosalicylic acid for their mitigating effect on experimental colitis in rats.
AID268620	Activation of human recombinant CA1 by CO2 hydrase assay	2006	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 16, Issue:15	Carbonic anhydrase activators: activation of isozyme XIII with amino acids and amines.
AID414331	Activation of yeast recombinant CA by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 19, Issue:6	Carbonic anhydrase activators: activation of the beta-carbonic anhydrase Nce103 from the yeast Saccharomyces cerevisiae with amines and amino acids.
AID1398359	Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis r	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID318344	Activation of human recombinant CA2 by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID307896	Activation of human recombinant CA1 by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID691712	Activity of Sulfurihydrogenibium yellowstonense YO3AOP1 recombinant CA expressed in Escherichia coli BL21(DE3) at 10 uM after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID291065	Activation of human recombinant CA7 by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID1815481	Activation of human carbonic anhydrase 7 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID1397321	Activation of Leishmania donovani chagasi CA preincubated for 15 mins followed by CO2 addition by stopped-flow assay
AID464320	Activation of archaea Methanobacterium thermoautotrophicum recombinant carbonic anhydrase by stopped flow CO2 hydration method	2010	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 20, Issue:5	Carbonic anhydrase activators: Activation of the beta-carbonic anhydrase from the pathogenic yeast Candida glabrata with amines and amino acids.
AID1398361	Trans-stimulation of human LAT1 expressed in TREx HEK293 cells assessed as induction of [3H]-gabapentin efflux at 200 uM after 3 mins by scintillation counting analysis relative to L-phenylalanine	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID299086	Decrease in colon/body weight ratio in in TNBS-induced rat colitis model	2007	Bioorganic & medicinal chemistry letters, Apr-01, Volume: 17, Issue:7	Synthesis, kinetic studies and pharmacological evaluation of mutual azo prodrug of 5-aminosalicylic acid with D-phenylalanine for colon specific drug delivery in inflammatory bowel disease.
AID436242	Antiinflammatory activity against trinitrobenzenesulfonic acid-induced colitis in Wistar rat assessed as decrease in inflammatory cell infiltration at 100 mg/kg administered rectallysmeasured 24 hrs after last dose on day 11 by haematoxylin/eosin staining	2009	European journal of medicinal chemistry, Oct, Volume: 44, Issue:10	Synthesis, kinetic studies and pharmacological evaluation of mutual azo prodrugs of 5-aminosalicylic acid for colon-specific drug delivery in inflammatory bowel disease.
AID365830	Activation of human recombinant truncated CA4 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 18, Issue:15	Carbonic anhydrase activators: Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines.
AID1815474	Activation of human carbonic anhydrase 1 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID1815477	Activation of human carbonic anhydrase 4 by stopped flow assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID1331205	Activation of recombinant Methanosarcina thermophila gamma carbonic anhydrase at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID291060	Activity of human recombinant CA1 at 10 uM by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID417725	Antiinflammatory activity against TNBS-induced po dosed Wistar rat colitis model assessed as inhibition of MPO activity in neutrophils per 100 mg of tissue	2009	European journal of medicinal chemistry, Jan, Volume: 44, Issue:1	Colon-specific mutual amide prodrugs of 4-aminosalicylic acid for their mitigating effect on experimental colitis in rats.
AID1398360	Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake at 200 uM preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting	2018	Journal of medicinal chemistry, 08-23, Volume: 61, Issue:16	Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1).
AID365829	Activation of human recombinant CA3 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 18, Issue:15	Carbonic anhydrase activators: Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines.
AID318348	Activation of human recombinant CA2 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID318343	Activation of human recombinant CA1 by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID1331206	Activation of Burkholderia pseudomallei gamma carbonic anhydrase at 10 uM incubated for 15 mins prior to testing by stopped flow CO2 hydration assay	2017	Bioorganic & medicinal chemistry letters, 01-01, Volume: 27, Issue:1	Burkholderia pseudomallei γ-carbonic anhydrase is strongly activated by amino acids and amines.
AID725227	Activation of Sulfurihydrogenibium yellowstonense recombinant CA by stopped flow CO2 hydrase method	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.
AID1397319	Activation of human CA1 by stopped-flow CO2 hydration assay
AID414330	Activation of Methanothermobacter thermautotrophicus recombinant Cab by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 19, Issue:6	Carbonic anhydrase activators: activation of the beta-carbonic anhydrase Nce103 from the yeast Saccharomyces cerevisiae with amines and amino acids.
AID291064	Activity of human recombinant CA7 at 10 uM by CO2 hydrase assay	2007	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 17, Issue:15	Carbonic anhydrase activators: activation of the human isoforms VII (cytosolic) and XIV (transmembrane) with amino acids and amines.
AID409988	Activation of Methanobacterium thermoautotrophicum beta-class CA by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID1815485	Activation of human carbonic anhydrase 14 by stopped flow CO2 hydrase assay	2021	European journal of medicinal chemistry, Dec-15, Volume: 226	Binding site comparison for coumarin inhibitors and amine/amino acid activators of human carbonic anhydrases.
AID318346	Activation of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID307897	Activation of human recombinant CA2 by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID375786	Activation of human recombinant carbonic anhydrase 4 lacking 20 amino terminal residues by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 19, Issue:13	Carbonic anhydrase activators. Activation of the membrane-associated isoform XV with amino acids and amines.
AID305776	Activation of human recombinant carbonic anhydrase 5A by stopped-flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 17, Issue:5	Carbonic anhydrase activators: an activation study of the human mitochondrial isoforms VA and VB with amino acids and amines.
AID318349	Activation of human recombinant CA9 catalytic domain at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry, Apr-01, Volume: 16, Issue:7	Carbonic anhydrase activators: activation of the human tumor-associated isozymes IX and XII with amino acids and amines.
AID417722	Antiinflammatory activity against TNBS-induced Wistar rat colitis model assessed as decrease in severity of inflammation treated rectally 3 days after TNBS induction measured on day 7	2009	European journal of medicinal chemistry, Jan, Volume: 44, Issue:1	Colon-specific mutual amide prodrugs of 4-aminosalicylic acid for their mitigating effect on experimental colitis in rats.
AID365827	Activation of human recombinant CA1 at 10 uM by stopped-flow CO2 hydration method	2008	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 18, Issue:15	Carbonic anhydrase activators: Activation of the human cytosolic isozyme III and membrane-associated isoform IV with amino acids and amines.
AID458784	Activation of Candida albicans beta-carbonic anhydrase Nce103 by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Feb, Volume: 18, Issue:3	Carbonic anhydrase activators: activation of the beta-carbonic anhydrases from the pathogenic fungi Candida albicans and Cryptococcus neoformans with amines and amino acids.
AID725226	Activation of Sulfurihydrogenibium azorense recombinant alpha carbonic anhydrase by stopped flow CO2 hydrase method	2013	Bioorganic & medicinal chemistry letters, Feb-15, Volume: 23, Issue:4	The extremo-α-carbonic anhydrase (CA) from Sulfurihydrogenibium azorense, the fastest CA known, is highly activated by amino acids and amines.
AID375787	Activation of membrane associated mouse recombinant carbonic anhydrase 15 isoform by stopped-flow CO2 hydrase method	2009	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 19, Issue:13	Carbonic anhydrase activators. Activation of the membrane-associated isoform XV with amino acids and amines.
AID436241	Antiinflammatory activity against trinitrobenzenesulfonic acid-induced colitis in Wistar rat assessed as decrease in appearance of mucosal abscess at 100 mg/kg, po measured 24 hrs after last dose on day 11 by haematoxylin/eosin staining	2009	European journal of medicinal chemistry, Oct, Volume: 44, Issue:10	Synthesis, kinetic studies and pharmacological evaluation of mutual azo prodrugs of 5-aminosalicylic acid for colon-specific drug delivery in inflammatory bowel disease.
AID1397320	Activation of human CA2 by stopped-flow CO2 hydration assay
AID305777	Activation of human recombinant carbonic anhydrase 5B by stopped-flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry letters, Mar-01, Volume: 17, Issue:5	Carbonic anhydrase activators: an activation study of the human mitochondrial isoforms VA and VB with amino acids and amines.
AID691711	Activity of human recombinant CA2 cytosolic isoform at 10 uM after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID307895	Activity of human recombinant CA6 at 10 uM by stopped flow CO2 hydrase method	2007	Bioorganic & medicinal chemistry, Aug-01, Volume: 15, Issue:15	Carbonic anhydrase activators: the first activation study of the human secretory isoform VI with amino acids and amines.
AID409984	Activation of human recombinant CA1 by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID458787	Activation of Cryptococcus neoformans beta-carbonic anhydrase Can2 by stopped flow CO2 hydration assay	2010	Bioorganic & medicinal chemistry, Feb, Volume: 18, Issue:3	Carbonic anhydrase activators: activation of the beta-carbonic anhydrases from the pathogenic fungi Candida albicans and Cryptococcus neoformans with amines and amino acids.
AID691710	Activity of human recombinant CA1 cytosolic isoform at 10 uM after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID409986	Activation of human recombinant CA2 by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID691714	Activity of human recombinant CA2 cytosolic isoform after 15 mins by phenol red staining based stopped flow CO2 hydration assay	2012	Bioorganic & medicinal chemistry letters, Oct-15, Volume: 22, Issue:20	The first activation study of a bacterial carbonic anhydrase (CA). The thermostable α-CA from Sulfurihydrogenibium yellowstonense YO3AOP1 is highly activated by amino acids and amines.
AID409990	Activation of Methanosarcina thermophila Zinc(2)-derived gamma-class CA by stopped-flow CO2 hydrase assay	2008	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 18, Issue:23	Carbonic anhydrase activators: activation of the archaeal beta-class (Cab) and gamma-class (Cam) carbonic anhydrases with amino acids and amines.
AID1751497	Antibiofilm activity against Staphylococcus aureus assessed as inhibition of biofilm formation at 500 uM	2021	Bioorganic & medicinal chemistry letters, 09-15, Volume: 48	Discovery of non-proteinogenic amino acids inhibiting biofilm formation by S. aureus and methicillin-resistant S. aureus.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1346334	Human HCA3 receptor (Hydroxycarboxylic acid receptors)	2009	Proceedings of the National Academy of Sciences of the United States of America, Mar-10, Volume: 106, Issue:10	Aromatic D-amino acids act as chemoattractant factors for human leukocytes through a G protein-coupled receptor, GPR109B.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	11035 (48.21)	18.7374
1990's	2836 (12.39)	18.2507
2000's	4269 (18.65)	29.6817
2010's	3525 (15.40)	24.3611
2020's	1224 (5.35)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	721 (3.04%)	5.53%
Trials	0 (0.00%)	5.53%
Trials	0 (0.00%)	5.53%
Reviews	814 (3.44%)	6.00%
Reviews	0 (0.00%)	6.00%
Reviews	2 (6.06%)	6.00%
Case Studies	488 (2.06%)	4.05%
Case Studies	0 (0.00%)	4.05%
Case Studies	0 (0.00%)	4.05%
Observational	21 (0.09%)	0.25%
Observational	0 (0.00%)	0.25%
Observational	0 (0.00%)	0.25%
Other	21,651 (91.37%)	84.16%
Other	6 (100.00%)	84.16%
Other	31 (93.94%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
acetylcarnitine Acetylcarnitine: An acetic acid ester of CARNITINE that facilitates movement of ACETYL COA into the matrices of mammalian MITOCHONDRIA during the oxidation of FATTY ACIDS.	2.91	3	0	O-acylcarnitine	human metabolite
monoisopropanolamine monoisopropanolamine: possible industrial pollutant; structure. 1-aminopropan-2-ol : Any amino alcohol that is propan-2-ol substituted by an amino group at position 1.	2.06	1	0	amino alcohol; secondary alcohol	Escherichia coli metabolite
dinitrochlorobenzene Dinitrochlorobenzene: A skin irritant that may cause dermatitis of both primary and allergic types. Contact sensitization with DNCB has been used as a measure of cellular immunity. DNCB is also used as a reagent for the detection and determination of pyridine compounds.. 1-chloro-2,4-dinitrobenzene : A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions.	3.38	7	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
2,3-dihydroxybenzoic acid 2,3-dihydroxybenzoic acid: RN given refers to parent cpd. dihydroxybenzoic acid : Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives.. 2,3-dihydroxybenzoic acid : A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta.	2.69	3	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite
ethylene chlorohydrin Ethylene Chlorohydrin: Used as a solvent, in the manufacture of insecticides, and for treating sweet potatoes before planting. May cause nausea, vomiting, pains in head and chest, stupefaction. Irritates mucous membranes and causes kidney and liver degeneration.. chloroethanol : An organochlorine compound that is ethanol substituted by at least one chloro group.	2	1	0	chloroethanol	xenobiotic metabolite
2-oxo-3-methylvalerate alpha-keto-beta-methylvaleric acid: RN given refers to parent cpd. 3-methyl-2-oxovaleric acid : A 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple syrup urine disease (MSUD).	2.03	1	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite
alpha-ketoisovalerate alpha-ketoisovalerate: RN given refers to parent cpd. 3-methyl-2-oxobutanoate : A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxobutanoic acid, arising from deprotonation of the carboxy group.. 3-methyl-2-oxobutanoic acid : A 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid.	2.4	2	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite; Saccharomyces cerevisiae metabolite
2-phosphoglycerate 2-phosphoglycerate: RN given refers to cpd without isomeric designation. 2-phosphoglyceric acid : A monophosphoglyceric acid having the phospho group at the 2-position.	2.41	2	0	monophosphoglyceric acid; tetronic acid derivative
2,3-diphosphoglycerate 2,3-Diphosphoglycerate: A highly anionic organic phosphate which is present in human red blood cells at about the same molar ratio as hemoglobin. It binds to deoxyhemoglobin but not the oxygenated form, therefore diminishing the oxygen affinity of hemoglobin. This is essential in enabling hemoglobin to unload oxygen in tissue capillaries. It is also an intermediate in the conversion of 3-phosphoglycerate to 2-phosphoglycerate by phosphoglycerate mutase (EC 5.4.2.1). (From Stryer Biochemistry, 4th ed, p160; Enzyme Nomenclature, 1992, p508). 2,3-bisphosphoglyceric acid : A bisphosphoglyceric acid that is glyceric acid carrying two phospho substituents at positions 2 and 3.	2.66	3	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
2-keto-4-methylvalerate alpha-ketoisocaproic acid: RN given refers to parent cpd. 4-methyl-2-oxopentanoate : A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid.. 4-methyl-2-oxopentanoic acid : A 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease.	8.36	28	3	2-oxo monocarboxylic acid; branched-chain keto acid	algal metabolite; human metabolite
protocatechuic acid protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.	3.65	2	0	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
3-chloroalanine 3-chloroalanine: RN given refers to parent cpd without isomeric designation. 3-chloroalanine : A chloroalanine obtained by replacement of one of the methyl hydrogens of alanine by a chloro group.	2.01	1	0	chloroalanine; non-proteinogenic alpha-amino acid; organochlorine compound
3-hydroxyanthranilic acid 3-Hydroxyanthranilic Acid: An oxidation product of tryptophan metabolism. It may be a free radical scavenger and a carcinogen.. 3-hydroxyanthranilic acid : An aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan.. 3-hydroxyanthranilate : A hydroxybenzoate that is the conjugate base of 3-hydroxyanthranilic acid.	2.4	2	0	aminobenzoic acid; monohydroxybenzoic acid	human metabolite; mouse metabolite
dihydro-3-coumaric acid dihydro-3-coumaric acid: intermediate in biosynthesis of dihydrophenanthrenes from phenylalanine. 3-(3-hydroxyphenyl)propanoic acid : A monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3.	1.96	1	0	monocarboxylic acid	Escherichia coli metabolite; human xenobiotic metabolite
3-oxoadipic acid 3-oxoadipic acid: RN given refers to parent cpd. 3-oxoadipic acid : An oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position.	1.99	1	0	dicarboxylic fatty acid; oxo dicarboxylic acid	bacterial xenobiotic metabolite; human metabolite
acetoacetic acid acetoacetic acid : A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent.	2.88	4	0	3-oxo fatty acid; ketone body	metabolite
3-hydroxybenzaldehyde [no description available]	2.04	1	0	hydroxybenzaldehyde
phosphoserine Phosphoserine: The phosphoric acid ester of serine.	2.91	4	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
3-phenylpropionic acid 3-phenylpropionic acid: RN given refers to parent cpd. 3-phenylpropionic acid : A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group.	8.49	8	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.	7.04	43	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
4-hydroxybenzaldehyde [no description available]	2.01	1	0	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
4-hydroxyphenylacetic acid 4-hydroxyphenylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.	3.22	6	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
4-hydroxybenzoic acid 4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.	4.49	7	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
aminolevulinic acid Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.. 5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.	3.07	5	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
5-hydroxytryptophan 5-Hydroxytryptophan: The immediate precursor in the biosynthesis of SEROTONIN from tryptophan. It is used as an antiepileptic and antidepressant.. 5-hydroxytryptophan : A tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5.	11.3	109	6	hydroxytryptophan	human metabolite; neurotransmitter
5,6,7,8-tetrahydropteridine 5,6,7,8-tetrahydropteridine: enzyme cofactor for certain oxidoreductases	2.34	2	0	pteridines	cofactor; Escherichia coli metabolite
ethylene glycol Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water.	8.41	7	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	8.68	10	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.	4.6	26	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
acetamide acetimidic acid : A carboximidic acid that is acetic acid in which the carbonyl oxygen is replaced by an imino group.	2.45	2	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	3.97	14	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
adenine [no description available]	6.78	82	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
adipic acid adipic acid : An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane.	2.25	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
agmatine Agmatine: Decarboxylated arginine, isolated from several plant and animal sources, e.g., pollen, ergot, herring sperm, octopus muscle.	2.67	3	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
allantoin [no description available]	2.03	1	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	11.11	118	2	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
anthranilic acid anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system.	2.86	4	0	aminobenzoic acid	human metabolite; mouse metabolite
quinacrine Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.. quinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.	3.45	8	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
beta-alanine [no description available]	4.52	24	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
benzaldehyde [no description available]	4.93	11	0	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
benzene [no description available]	5.76	28	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.	5.6	23	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
benzyl alcohol Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.	2.45	2	0	benzyl alcohols	antioxidant; fragrance; metabolite; solvent
betaine glycine betaine : The amino acid betaine derived from glycine.	4.94	12	0	amino-acid betaine; glycine derivative	fundamental metabolite
bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	3.67	10	0	halide anion; monoatomic bromine
butyraldehyde [no description available]	1.99	1	0	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	3.67	10	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
butyric acid Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.	3.43	7	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
cadaverine [no description available]	1.97	1	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
carbamates [no description available]	18.44	130	33	amino-acid anion
carbamyl phosphate Carbamyl Phosphate: The monoanhydride of carbamic acid with PHOSPHORIC ACID. It is an important intermediate metabolite and is synthesized enzymatically by CARBAMYL-PHOSPHATE SYNTHASE (AMMONIA) and CARBAMOYL-PHOSPHATE SYNTHASE (GLUTAMINE-HYDROLYZING).	4.18	5	0	acyl monophosphate; one-carbon compound	Escherichia coli metabolite; mouse metabolite
ureidosuccinic acid ureidosuccinic acid: RN given refers to (DL)-isomer. N-carbamoylaspartic acid : An N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group.	2.38	2	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.	9.66	27	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.	3.64	9	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
aminooxyacetic acid Aminooxyacetic Acid: A compound that inhibits aminobutyrate aminotransferase activity in vivo, thereby raising the level of gamma-aminobutyric acid in tissues.. (aminooxy)acetic acid : A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues.	2.88	4	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
carnitine [no description available]	5.86	21	1	amino-acid betaine	human metabolite; mouse metabolite
catechol [no description available]	3.71	10	0	catechols	allelochemical; genotoxin; plant metabolite
methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).	9.64	27	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
choline [no description available]	6.95	41	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
aconitic acid Aconitic Acid: A tricarboxylic acid with the formula (COOH)-CH2-C(COOH)=CH-COOH.. aconitic acid : A tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3.	2.57	2	0	tricarboxylic acid
citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.	5.3	12	1	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	7.9	101	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.	4.79	33	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
coumarin 2H-chromen-2-one: coumarin derivative	3.26	6	0	coumarins	fluorescent dye; human metabolite; plant metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	6.61	38	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
aminoethylphosphonic acid Aminoethylphosphonic Acid: An organophosphorus compound isolated from human and animal tissues.. (2-aminoethyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group.	1.97	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
3-cresol 3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.	1.99	1	0	cresol	human xenobiotic metabolite
octane Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms.	2.41	2	0	alkane	xenobiotic
phloroglucinol Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.. phloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5.	3.99	4	0	benzenetriol; phenolic donor	algal metabolite
gallic acid gallate : A trihydroxybenzoate that is the conjugate base of gallic acid.	4.16	5	0	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite
4-nitrophenylphosphate nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid. 4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.	3.08	5	0	aryl phosphate	mouse metabolite
octanoic acid octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764. octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.	2.05	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.	3.75	11	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
dihydrolipoic acid dihydrolipoic acid: RN given refers to parent cpd without isomeric designation. dihydrolipoic acid : A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects.. dihydrolipoate : The conjugate base of dihydrolipoic acid.	2.06	1	0	thio-fatty acid	antioxidant; human metabolite; neuroprotective agent
oxoamide oxoamide: cotinine metabolite; structure given in first source	2.02	1	0	aromatic ketone
3-hydroxybutyric acid 3-Hydroxybutyric Acid: BUTYRIC ACID substituted in the beta or 3 position. It is one of the ketone bodies produced in the liver.. 3-hydroxybutyric acid : A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics.	7.21	11	2	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
bupropion Bupropion: A propiophenone-derived antidepressant and antismoking agent that inhibits the uptake of DOPAMINE.. bupropion : An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring.	2.1	1	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
n(1)-methylnicotinamide N(1)-methylnicotinamide: RN given refers to parent cpd. 1-methylnicotinamide : A pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inactive but has emerged as an anti-thrombotic and anti-inflammatory agent.	2.11	1	0	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.	2.08	1	0	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
hippuric acid hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl.	3.87	12	0	N-acylglycine	human blood serum metabolite; uremic toxin
2-aminoadipic acid 2-Aminoadipic Acid: A metabolite in the principal biochemical pathway of lysine. It antagonizes neuroexcitatory activity modulated by the glutamate receptor, N-METHYL-D-ASPARTATE; (NMDA).. 2-aminoadipic acid : An alpha-amino acid that is adipic acid bearing a single amino substituent at position 2. An intermediate in the formation of lysine.	2.93	4	0	amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid	Caenorhabditis elegans metabolite; mammalian metabolite
2-keto-4-methylthiobutyric acid 2-keto-4-methylthiobutyric acid: RN given refers to parent cpd; structure. 4-methylthio-2-oxobutanoic acid : A 2-oxo monocarboxylic acid derived from L-methionine via the action of methionine transaminase.	2.37	2	0	omega-(methylthio)-2-oxocarboxylic acid
methylmalonic acid Methylmalonic Acid: A malonic acid derivative which is a vital intermediate in the metabolism of fat and protein. Abnormalities in methylmalonic acid metabolism lead to methylmalonic aciduria. This metabolic disease is attributed to a block in the enzymatic conversion of methylmalonyl CoA to succinyl CoA.. methylmalonic acid : A dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group.	3.24	6	0	C4-dicarboxylic acid	human metabolite
n(g),n(g')-dimethyl-l-arginine N,N-dimethylarginine: asymmetric dimethylarginine; do not confuse with N,N'-dimethylarginine	7.4	4	2	alpha-amino acid
malic acid malic acid : A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.. 2-hydroxydicarboxylic acid : Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.	6.71	7	2	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
propionaldehyde propionaldehyde: may cause respiratory irritation; RN given refers to parent cpd; structure. propanal : An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals.	2.17	1	0	alpha-CH2-containing aldehyde; propanals	Escherichia coli metabolite
phosphoglycolate phosphoglycolate: RN given refers to parent acid. 2-phosphoglycolic acid : The O-phospho derivative of glycolic acid.	2.38	2	0	carboxyalkyl phosphate	Escherichia coli metabolite; mouse metabolite
1-aminocyclopropane-1-carboxylic acid 1-aminocyclopropanecarboxylic acid : A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position.	6.98	1	0	amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid	ethylene releasers; plant metabolite
phosphonoacetic acid Phosphonoacetic Acid: A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.. phosphonoacetic acid : A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.	2	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
3,4-dihydroxyphenylacetic acid 3,4-Dihydroxyphenylacetic Acid: A deaminated metabolite of LEVODOPA.. (3,4-dihydroxyphenyl)acetic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.. dihydroxyphenylacetic acid : A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.	3.69	10	0	catechols; dihydroxyphenylacetic acid	human metabolite
aminocaproic acid Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties.. 6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator.	3.97	4	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
creatine [no description available]	7.63	26	2	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
cytosine [no description available]	9.88	36	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
alanylalanine alanylalanine: RN given refers to (DL)-isomer	2.68	3	0	dipeptide
alanine [no description available]	2.41	2	0	alpha-amino acid; amino acid zwitterion	fundamental metabolite
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	11.79	62	4	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
3,3-dimethylallyl pyrophosphate 3,3-dimethylallyl pyrophosphate: isomeric with isopentenyl pyrophosphate. prenyl diphosphate : A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol.	2.42	2	0	prenol phosphate	epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.	11.29	49	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
ethanolamine [no description available]	2.43	2	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	3.91	13	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
formamide formimidic acid : A carboximidic acid that is formic acid in which the carbonyl oxygen is replaced by an imino group.. primary carboxamide : A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2.	2.04	1	0	carboximidic acid; formamides; monocarboxylic acid amide; one-carbon compound	solvent
3-phosphoglycerate 3-phosphoglycerate : An organic anion obtained by deprotonation of at least one of the acidic groups of 3-phosphoglyceric acid.	2.01	1	0	monophosphoglyceric acid; tetronic acid derivative	algal metabolite; fundamental metabolite
glutaric acid glutaric acid: RN given refers to parent cpd. glutaric acid : An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.	2.03	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	Daphnia magna metabolite; human metabolite
glycine [no description available]	17.34	971	9	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glyceraldehyde Glyceraldehyde: An aldotriose containing the propionaldehyde structure with hydroxy groups at the 2- and 3-positions. It is involved in the formation of ADVANCED GLYCOSYLATION END PRODUCTS.. glyceraldehyde : An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing.. aldose : Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.	3.45	2	0	aldotriose	fundamental metabolite
glyceric acid glyceric acid: found in urine of patient with D-glyceric acidemia & hyperglycinaemia; RN given refers to parent cpd without isomeric designation. glycerol ether : Any ether having glyceryl as at least one of the O-substituents.. glyceric acid : A trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups.	2.11	1	0	trionic acid	fundamental metabolite
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	8.62	51	1	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
alpha-glycerophosphoric acid [no description available]	2.48	2	0	glycerol monophosphate	algal metabolite; human metabolite
glycolaldehyde [no description available]	7.05	1	0	glycolaldehydes	fundamental metabolite; human metabolite
glycolic acid glycolic acid: RN given refers to parent cpd. glycolic acid : A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated.	2.03	1	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
glycocyamine glycocyamine: RN given refers to parent cpd; structure. guanidinoacetate : A monocarboxylic acid anion that is the conjugate base of guanidinoacetic acid, obtained by deprotonation of the carboxy group.. guanidinoacetic acid : The N-amidino derivative of glycine.	3.7	1	1	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
hydrogen cyanide Hydrogen Cyanide: Hydrogen cyanide (HCN); A toxic liquid or colorless gas. It is found in the smoke of various tobacco products and released by combustion of nitrogen-containing organic materials.. hydrogen cyanide : A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom	3.44	2	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
hydrogen carbonate Bicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.. hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid.	8.02	48	2	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dalteparin Dalteparin: A low-molecular-weight fragment of heparin, prepared by nitrous acid depolymerization of porcine mucosal heparin. The mean molecular weight is 4000-6000 daltons. It is used therapeutically as an antithrombotic agent. (From Merck Index, 11th ed)	2.02	1	0
histamine [no description available]	12.19	51	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
homogentisic acid Homogentisic Acid: Dihydroxyphenylacetic acid with hydroxyls at the 2 and 5 positions of the phenyl ring.. homogentisic acid : A dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions.	8.13	18	1	dihydroxyphenylacetic acid; hydroquinones	human metabolite; plant metabolite
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	5.5	66	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
hydroquinone [no description available]	2.92	4	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
hydroxylamine amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group.	3.22	6	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.	3.9	12	0	imidazole
indole [no description available]	3.77	11	0	indole; polycyclic heteroarene	Escherichia coli metabolite
indole-3-acetaldehyde indoleacetaldehyde : An aldehyde that is acetaldehyde substituted by an indolyl group.. indol-3-ylacetaldehyde : An indoleacetaldehyde that is acetaldehyde in which one of the methyl hydrogens are replaced by a indol-3-yl group. It is an intermediate metabolite in the metabolism of tryptophan.	2.21	1	0	indoleacetaldehyde	bacterial metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
indoleacetic acid indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group.	5.55	23	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
indol-3-yl pyruvic acid 3-(indol-3-yl)pyruvic acid : A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a 1H-indol-3-yl group at position 3. It has been found in Lycopersicon esculentum	2.58	2	0	2-oxo monocarboxylic acid; indol-3-yl carboxylic acid	plant metabolite; Saccharomyces cerevisiae metabolite
iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge..	6.26	36	1	diatomic iodine	nutrient
itaconic acid itaconic acid : A dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group.	2.17	1	0	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite
dihydroxyphenylalanine Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring.	12.78	182	4	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
kynurenine Kynurenine: A metabolite of the essential amino acid tryptophan metabolized via the tryptophan-kynurenine pathway.. kynurenine : A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group.	14.52	42	2	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
pipecolic acid pipecolic acid: RN given refers to cpd without isomeric designation. pipecolic acid : A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2.. pipecolate : A piperidinecarboxylate that is the conjugate base of pipecolic acid.	2.41	2	0	piperidinemonocarboxylic acid
thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS.	3.24	6	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
malonic acid malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.. dicarboxylic acid : Any carboxylic acid containing two carboxy groups.	2.94	4	0	alpha,omega-dicarboxylic acid	human metabolite
racemethionine Racemethionine: A preparation of METHIONINE that includes a mixture of D-methionine and L-methionine isomers.	3.01	2	0	alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid	algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
methylmercaptan methylmercaptan: intermediate in the manufacturing of jet fuels, pesticides, fungicides, plastics, synthesis of methionine; odor may cause nausea; narcotic in high concentrations; depresses urea biosynthesis; RN given refers to parent cpd; structure	3.06	1	0	alkanethiol	human metabolite; Saccharomyces cerevisiae metabolite
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	15.36	97	3	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
phytic acid Phytic Acid: Complexing agent for removal of traces of heavy metal ions. It acts also as a hypocalcemic agent.. myo-inositol hexakisphosphate : A myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated.	2.7	3	0	inositol phosphate
inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.	7.71	19	3	cyclitol; hexol
melatonin [no description available]	5.92	13	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
croton oil [no description available]	1.94	1	0	N-acyl-hexosamine
n-methylphenylethanolamine 2-methylamino-1-phenylethanol: structure in first source	2	1	0	alkaloid; phenylethanolamines	human metabolite; plant metabolite
naphthalene [no description available]	3.31	6	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28.	9.58	26	0	metal allergen; nickel group element atom	epitope; micronutrient
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	11.98	24	1	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.	3.34	7	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	6.99	42	2	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitroxyl nitroxyl: hydroxamic acid oxidized to nitroxyl free radical. nitroxyl : A nitrogen oxoacid consisting of an oxygen atom double-bonded to an NH group.	2.48	2	0	nitrogen oxoacid
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	5.48	16	1	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrous oxide Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream.	7.88	4	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1.	2.06	1	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
hydroxide ion [no description available]	3.52	8	0	oxygen hydride	mouse metabolite
orotic acid Orotic Acid: An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.. orotic acid : A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6.	4.94	39	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
oxaloacetic acid Oxaloacetic Acid: A dicarboxylic acid ketone that is an important metabolic intermediate of the CITRIC ACID CYCLE. It can be converted to ASPARTIC ACID by ASPARTATE TRANSAMINASE.. oxaloacetic acid : An oxodicarboxylic acid that is succinic acid bearing a single oxo group.	2.43	2	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
oxalic acid Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.	1.96	1	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
oxamic acid Oxamic Acid: Amino-substituted glyoxylic acid derivative.. oxamic acid : A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia.	2.01	1	0	dicarboxylic acid monoamide	Escherichia coli metabolite
4-aminobenzoic acid 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.	4	14	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
4-hydroxyphenylpyruvic acid 4-hydroxyphenylpyruvic acid: RN given refers to parent cpd. 4-hydroxyphenylpyruvic acid : A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.	3.69	10	0	2-oxo monocarboxylic acid; phenols	human metabolite
4-nitrophenol 4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.	2.66	3	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
palmitic acid Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.	4.53	7	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
pentachlorophenol PENTA: structure given in first source	2.38	2	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
phenanthrene phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.'	2.78	3	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
phenol [no description available]	3.7	10	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylpyruvic acid phenylpyruvic acid: RN given refers to parent cpd. phenylpyruvate : A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of either keto- or enol-phenylpyruvic acid.. keto-phenylpyruvic acid : A 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway.	7.35	86	0	2-oxo monocarboxylic acid	chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite
phenylacetaldehyde [no description available]	4.22	17	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetic acid phenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.	7.09	43	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
phenethylamine phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016. 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.	6.16	25	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
5-phenylhydantoin, (+-)-isomer 5-phenylhydantoin: structure given in first source	2.11	1	0
phosphoenolpyruvate Phosphoenolpyruvate: A monocarboxylic acid anion derived from selective deprotonation of the carboxy group of phosphoenolpyruvic acid. It is a metabolic intermediate in GLYCOLYSIS; GLUCONEOGENESIS; and other pathways.. phosphoenolpyruvate : A monocarboxylic acid anion resuting from selective deprotonation of the carboxy group of phosphoenolpyruvic acid.. phosphoenolpyruvic acid : A monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis.	5.43	63	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
phosphorylcholine Phosphorylcholine: Calcium and magnesium salts used therapeutically in hepatobiliary dysfunction.. phosphocholine : The phosphate of choline; and the parent compound of the phosphocholine family.	3.58	8	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
phosphorylethanolamine phosphorylethanolamine: RN given refers to parent cpd; structure. O-phosphoethanolamine : The ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain.	2.01	1	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.	2.06	1	0	benzenedicarboxylic acid	human xenobiotic metabolite
picolinic acid picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206. picolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.	2.47	2	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
diphosphoric acid diphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid.	2.7	3	0	acyclic phosphorus acid anhydride; phosphorus oxoacid	Escherichia coli metabolite
pqq cofactor PQQ Cofactor: A pyrrolo-quinoline having two adjacent keto-groups at the 4 and 5 positions and three acidic carboxyl groups. It is a coenzyme of some DEHYDROGENASES.. pyrroloquinoline quinone : A pyrroloquinoline having oxo groups at the 4- and 5-positions and carboxy groups at the 2-, 7- and 9-positions.	1.97	1	0	orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid	anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role)
prephenic acid prephenic acid: nonaromatic biosynthetic intermediate, probable immediate precursor of aromatic systems such as phenylalanine, tyrosine, tannins, flavanoids; isolated from cultures of mutant E coli; structure. (1s,4s)-prephenic acid : A prephenic acid having (1s,4s)-cis-configuration.. prephenic acid : An oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1.	3.94	13	0	oxo dicarboxylic acid	Escherichia coli metabolite; plant metabolite
1-propanol 1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group.	5.13	15	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
propionic acid propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.	2.92	4	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pteridines [no description available]	10.86	113	1	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
purine 1H-purine : The 1H-tautomer of purine.. 3H-purine : The 3H-tautomer of purine.. 9H-purine : The 9H-tautomer of purine.. 7H-purine : The 7H-tautomer of purine.	3.21	6	0	purine
putrescine [no description available]	4.35	21	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
pyrazinamide pyrazinecarboxamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of pyrazinoic acid (pyrazine-2-carboxylic acid) with ammonia. A prodrug for pyrazinoic acid, pyrazinecarboxamide is used as part of multidrug regimens for the treatment of tuberculosis.	2.03	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyrazinoic acid pyrazinoic acid: active metabolite of pyrazinamide; structure. pyrazine-2-carboxylic acid : The parent compound of the class of pyrazinecarboxylic acids, that is pyrazine bearing a single carboxy substituent. The active metabolite of the antitubercular drug pyrazinamide.	2.03	1	0	pyrazinecarboxylic acid	antitubercular agent; drug metabolite
pyrazole 1H-pyrazole : The 1H-tautomer of pyrazole.	2.25	1	0	pyrazole
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	8.4	7	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
pyridoxal [no description available]	4.66	9	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxal phosphate Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).. pyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.	12.12	49	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxamine [no description available]	8.57	9	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
pyridoxamine phosphate pyridoxamine phosphate: RN given refers to parent cpd; structure. pyridoxamine 5'-phosphate : A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine.	1.97	1	0	aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).	7.05	29	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyrogallol benzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.	8.07	5	0	benzenetriol; phenolic donor	plant metabolite
pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.	9.71	29	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
quinolinic acid Quinolinic Acid: A metabolite of tryptophan with a possible role in neurodegenerative disorders. Elevated CSF levels of quinolinic acid are correlated with the severity of neuropsychological deficits in patients who have AIDS.. pyridinedicarboxylic acid : Any member of the class of pyridines carrying two carboxy groups.. quinolinic acid : A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan.	1.97	1	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
thiosulfates Thiosulfates: Inorganic salts of thiosulfuric acid possessing the general formula R2S2O3.. thiosulfate(2-) : A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.	3.04	5	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
dithionite Dithionite: Dithionite. The dithionous acid ion and its salts.	1.99	1	0	sulfur oxide; sulfur oxoanion
sarcosine cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis	10.55	17	1	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
sulfites Sulfites: Inorganic salts of sulfurous acid.. sulfites : Any sulfurous acid derivative that is a salt or an ester of sulfurous acid.. organosulfonate oxoanion : An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.. sulfite : A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).	5.31	18	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
spermidine [no description available]	4.95	39	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
spermine [no description available]	5.3	56	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
succinic acid Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.	3.73	10	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant.	2.07	1	0	sulfur oxide	Escherichia coli metabolite; food bleaching agent; refrigerant
tartronate semialdehyde 2-hydroxy-3-oxopropanoate : The conjugate base of 2-hydroxy-3-oxopropanoic acid; major species at pH 7.3.	1.99	1	0	2-hydroxy monocarboxylic acid; 3-oxo monocarboxylic acid; aldehyde	Escherichia coli metabolite; mouse metabolite
taurine [no description available]	8.31	51	1	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.	9.15	17	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thymine [no description available]	6.06	39	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	9.6	27	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
trimethyloxamine trimethyloxamine: used in manufacture of quaternary ammonium cpds; insect attractant; warming agent for gas; oxidant; structure. trimethylamine N-oxide : A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine.	3.18	4	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
trimethylamine [no description available]	2.51	2	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
tryptophan [no description available]	2.1	1	0	alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid	Daphnia magna metabolite
tryptamine [no description available]	3.5	8	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
uracil 2,4-dihydroxypyrimidine: a urinary biomarker for bipolar disorder	7.77	134	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.	9.94	12	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	15.84	263	12	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).	3.84	3	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
xanthine 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.	3.53	8	0	xanthine	Saccharomyces cerevisiae metabolite
isocitric acid isocitric acid: RN given refers to unlabeled parent cpd. isocitric acid : A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group.	2.01	1	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
2-amino-5-phosphonovalerate 2-Amino-5-phosphonovalerate: The D-enantiomer is a potent and specific antagonist of NMDA glutamate receptors (RECEPTORS, N-METHYL-D-ASPARTATE). The L form is inactive at NMDA receptors but may affect the AP4 (2-amino-4-phosphonobutyrate; APB) excitatory amino acid receptors.	2.41	2	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
8-hydroxy-2-(di-n-propylamino)tetralin 8-Hydroxy-2-(di-n-propylamino)tetralin: A serotonin 1A-receptor agonist that is used experimentally to test the effects of serotonin.. 8-OH-DPAT : A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively	2.72	3	0	phenols; tertiary amino compound; tetralins	serotonergic antagonist
4-iodo-2,5-dimethoxyphenylisopropylamine 4-iodo-2,5-dimethoxyphenylisopropylamine: RN given refers to unlabeled parent cpd without isomeric designation; a serotonin agonist. 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine : An organoiodine compound that is amphetamine bearing two methoxy substituents at positions 2 and 5 as well as an iodo substituent at position 4.	1.98	1	0	amphetamines; dimethoxybenzene; organoiodine compound
1-hydroxy-3-amino-2-pyrrolidone 1-hydroxy-3-amino-2-pyrrolidone: a CNS depressant; structure in first source	2.41	2	0
normetanephrine Normetanephrine: A methylated metabolite of norepinephrine that is excreted in the urine and found in certain tissues. It is a marker for tumors.	3.33	7	0	catecholamine
vanilmandelic acid Vanilmandelic Acid: A 3-O-methyl ether of 3,4-dihydroxymandelic acid. It is an end-stage metabolite of CATECHOLAMINES; EPINEPHRINE; and NOREPINEPHRINE.. vanillylmandelic acid : An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid.	4.3	6	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
menthol Menthol: A monoterpene cyclohexanol produced from mint oils.	2.02	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
mandelic acid SAMMA: mandelic acid condensation polymer	3.84	12	0	2-hydroxy monocarboxylic acid; benzenes	antibacterial agent; human xenobiotic metabolite
atrolactic acid atrolactic acid: see also 3-isomer; RN given refers to parent cpd without isomeric designation; structure	2.38	2	0	2-hydroxy monocarboxylic acid
1,10-phenanthroline 1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinases	3.38	7	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1-(3-chlorophenyl)piperazine 1-(3-chlorophenyl)piperazine: supposed metabolite of TRAZODONE; RN given refers to parent cpd; structure. 1-(3-chlorophenyl)piperazine : A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone.	2.03	1	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
1-aminocyclohexanecarboxylic acid 1-aminocyclohexanecarboxylic acid: RN given refers to parent cpd. 1-amino-1-cyclohexanecarboxylic acid : An alpha-amino acid that is cyclohexanecarboxylic acid substituted by an amino group at position 1.	1.98	1	0	alpha-amino acid
1-aminobenzotriazole [no description available]	2.04	1	0
1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.	7.21	36	1	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
2,2'-dipyridyl 2,2'-Dipyridyl: A reagent used for the determination of iron.. 2,2'-bipyridine : A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'.	3.24	6	0	bipyridine	chelator; ferroptosis inhibitor
2,4-dichlorophenoxyacetic acid 2,4-Dichlorophenoxyacetic Acid: An herbicide with irritant effects on the eye and the gastrointestinal system.. 2,4-D : A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines.	3.24	6	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
2,4-dinitrophenol 2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed). dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.. 2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.	3.47	8	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine: mutagen from fried ground beef; structure given in first source. PhIP : An imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, amino, and phenyl groups, respectively. It is the most abundant of the mutagenic heterocyclic amines found in cooked meat and fish.	4.74	11	0	imidazopyridine; primary amino compound	carcinogenic agent; mutagen
mercaptoethanol Mercaptoethanol: A water-soluble thiol derived from hydrogen sulfide and ethanol. It is used as a reducing agent for disulfide bonds and to protect sulfhydryl groups from oxidation.	4.99	41	0	alkanethiol; primary alcohol	geroprotector
2-nitro-4-carboxyphenyl-n,n-diphenylcarbamate 2-nitro-4-carboxyphenyl-N,N-diphenylcarbamate: inhibits phospholipase C and serine esterases; structure in first source	1.96	1	0
2-aminoethoxydiphenyl borate 2-aminoethoxydiphenyl borate: is a novel membrane-penetrable modulator and transient receptor potential channel blocker; structure in first source; do not confuse with 2-APB cpd. 2-aminoethoxydiphenylborane : An organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group.	2.01	1	0	organoboron compound; primary amino compound	calcium channel blocker; IP3 receptor antagonist; potassium channel opener
3,4-dichloroisocoumarin 3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor.	1.98	1	0	isocoumarins; organochlorine compound	geroprotector; serine protease inhibitor
n-methyl-3,4-methylenedioxyamphetamine N-Methyl-3,4-methylenedioxyamphetamine: An N-substituted amphetamine analog. It is a widely abused drug classified as a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems. It is commonly referred to as MDMA or ecstasy.. 3,4-methylenedioxymethamphetamine : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5.	2.71	3	0	amphetamines; benzodioxoles	neurotoxin
phaclofen phaclofen: peripheral & central baclofen & GABA antagonist; structure given in first source	1.98	1	0	organophosphate oxoanion; zwitterion
aminopropionitrile Aminopropionitrile: Reagent used as an intermediate in the manufacture of beta-alanine and pantothenic acid.	1.94	1	0	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
meglutol Meglutol: An antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids. It acts by interfering with the enzymatic steps involved in the conversion of acetate to hydroxymethylglutaryl coenzyme A as well as inhibiting the activity of HYDROXYMETHYLGLUTARYL COA REDUCTASES which is the rate limiting enzyme in the biosynthesis of cholesterol.. 3-hydroxy-3-methylglutaric acid : A dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura.	1.97	1	0	3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol	anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite
3-methoxytyramine 3-methoxytyramine: RN given refers to parent cpd. 3-methoxytyramine : A monomethoxybenzene that is dopamine in which the hydroxy group at position 3 is replaced by a methoxy group. It is a metabolite of the neurotransmitter dopamine and considered a potential biomarker of pheochromocytomas and paragangliomas.	2.13	1	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	biomarker; human blood serum metabolite; human urinary metabolite
3-methoxytyrosine [no description available]	2	1	0	tyrosine derivative
3-methylcholanthrene Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.. 3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.	3.73	11	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
pleconaril WIN 63843: structure given in first source	4.97	4	0
4-(2-aminoethyl)benzenesulfonylfluoride [no description available]	2	1	0
4-aminopyridine [no description available]	7.69	3	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
p-chloromercuribenzoic acid p-Chloromercuribenzoic Acid: An organic mercurial used as a sulfhydryl reagent.	1.97	1	0	chlorine molecular entity; mercuribenzoic acid
homovanillic acid Homovanillic Acid: A 3-O-methyl ETHER of (3,4-dihydroxyphenyl)acetic acid.. homovanillate : A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.. homovanillic acid : A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.	7.85	33	2	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
5,5-dimethyl-1-pyrroline-1-oxide 5,5-dimethyl-1-pyrroline-1-oxide: do not confuse with DMPO (4',5'-dihydroxy-7-methoxy-4-phenyl-5,2'-oxidocoumarin). 5,5-dimethyl-1-pyrroline N-oxide : A member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation.	1.99	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
phenytoin [no description available]	3.21	6	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
5,7-dichlorokynurenic acid 5,7-dichlorokynurenic acid: potent antagonist at the N-methyl-D-aspartate receptor-associated glycine binding site	2.41	2	0	quinolines
5,8,11,14-eicosatetraynoic acid 5,8,11,14-Eicosatetraynoic Acid: A 20-carbon unsaturated fatty acid containing 4 alkyne bonds. It inhibits the enzymatic conversion of arachidonic acid to prostaglandins E(2) and F(2a).	1.95	1	0	long-chain fatty acid
5-(n,n-hexamethylene)amiloride 5-(N,N-hexamethylene)amiloride: inhibitor of Na+-H+ exchange; has anti-HIV-1 activity. 5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring.	2.25	1	0	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker
hydroxyindoleacetic acid (5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5.	13.66	99	13	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
7-chlorokynurenic acid 7-chlorokynurenic acid: selective antagonist at the glycine modulatory site of the N-methyl-D-aspartate receptor complex; structure given in first source. 7-chlorokynurenic acid : A quinolinemonocarboxylic acid that is quinaldic acid which is substituted by a hydroxy group at position 4 and by a chlorine at position 7. It is a potent NMDA glutamate receptor antagonist which antagonizes the strychnine-insensitive glycine site of the NMDA receptor. It also prevents neurodegeneration produced by quinolinic acid.	2.01	1	0	organochlorine compound; quinolinemonocarboxylic acid	neuroprotective agent; NMDA receptor antagonist
oxyquinoline Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.	7.17	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
tacrine Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.	2.1	1	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol Acebutolol: A cardioselective beta-1 adrenergic antagonist with little effect on the bronchial receptors. The drug has stabilizing and quinidine-like effects on cardiac rhythm, as well as weak inherent sympathomimetic action.. acebutolol : An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.	2.1	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.	6.25	7	2	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetazolamide Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)	3.24	6	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetyl-dl-leucine acetylleucine: used for treating vestibular-related imbalance and vertigo	1.98	1	0	leucine derivative; N-acetyl-amino acid
n-acetylphenylalanine N-acetylphenylalanine: RN given refers to (DL)-isomer. N-acetylphenylalanine : The N-acetyl derivative of phenylalanine.	4.61	26	0	N-acetyl-amino acid; phenylalanine derivative	antidepressant; metabolite
n-acetyltryptophan N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan.	1.97	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
ag-1296 6,7-dimethoxy-3-phenylquinoxaline: ATP-competitive inhibitor of receptor kinase	2.01	1	0	quinoxaline derivative
1-aminoindan-1,5-dicarboxylic acid 1-aminoindan-1,5-dicarboxylic acid: structure given in first source	2.02	1	0
albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).	2.96	4	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alosetron alosetron : A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position.	7.22	9	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
alpha-methylserotonin alpha-methylserotonin: potent agonist at M & D receptors of serotonin; RN given refers to parent cpd	1.99	1	0	tryptamines	serotonergic agonist
alprenolol Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.. alprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.	2.1	1	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
am 251 AM 251: an analog of SR141716A; structure given in first source. AM-251 : A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor.	2.03	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist
amantadine amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source	3.35	7	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
amfonelic acid amfonelic acid: CNS-stimulant	7.36	2	0
aminoglutethimide Aminoglutethimide: An aromatase inhibitor that is used in the treatment of advanced BREAST CANCER.. aminoglutethimide : A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position.	1.97	1	0	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
pimagedine pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure. aminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.	2.02	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
p-aminohippuric acid p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.. p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.	3.48	8	0	N-acylglycine	Daphnia magna metabolite
theophylline [no description available]	9.64	28	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amiodarone Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.. amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.	2.45	2	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
dan 2163 [no description available]	2.74	3	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amitriptyline Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.	2.67	3	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine Amlodipine: A long-acting dihydropyridine calcium channel blocker. It is effective in the treatment of ANGINA PECTORIS and HYPERTENSION.. amlodipine : A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina.	2.44	2	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amobarbital Amobarbital: A barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565). amobarbital : A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties.	2.64	3	0	barbiturates
amodiaquine Amodiaquine: A 4-aminoquinoline compound with anti-inflammatory properties.. amodiaquine : A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position.	2.03	1	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
amoxapine Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression.. amoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.	2.1	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
antipyrine Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2.	8.56	9	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
2-amino-4-phosphonobutyric acid 2-amino-4-phosphonobutyric acid: glutamate antagonist in locust muscle; structure; do not confuse with L-AP4, which is the propionic acid version	1.96	1	0
acetovanillone apocynin : An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3.	2.06	1	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
arecoline Arecoline: An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands.. arecoline : A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.	2.75	3	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
aspirin Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5). acetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.. acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.	6.39	13	1	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
atenolol Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.	2.97	4	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
aurintricarboxylic acid Aurintricarboxylic Acid: A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues.. aurintricarboxylic acid : A member of the class of quinomethanes that is 3-methylidene-6-oxocyclohexa-1,4-diene-1-carboxylic acid in which the methylidene hydrogens are replaced by 4-carboxy-3-hydroxyphenyl groups. The trisodium salt is the biological stain 'chrome violet CG' while the triammonium salt is 'aluminon'.	3.34	7	0	monohydroxybenzoic acid; quinomethanes; tricarboxylic acid	fluorochrome; histological dye; insulin-like growth factor receptor 1 antagonist
azathioprine Azathioprine: An immunosuppressive agent used in combination with cyclophosphamide and hydroxychloroquine in the treatment of rheumatoid arthritis. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance has been listed as a known carcinogen. (Merck Index, 11th ed). azathioprine : A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS.	1.94	1	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
azelaic acid nonanedioic acid : An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.	2.11	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
azelastine azelastine: azeptin is azelastine hydrochloride; structure; eye drop formulation effective in relieving symptoms of allergic conjunctivitis; do not confuse with 5-loxin which is an extract of Boswellia. azelastine : A phthalazine compound having an oxo substituent at the 1-position, a 1-methylazepan-4-yl group at the 2-position and a 4-chlorobenzyl substituent at the 4-position.	2.1	1	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
azobenzene azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure. (E)-azobenzene : The (E)-isomer of azobenzene.. (Z)-azobenzene : The (Z)-isomer of azobenzene.. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.	7.84	3	0	azobenzenes
baclofen [no description available]	2.67	3	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
barbital 5,5-diethylbarbituric acid : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid).	2.02	1	0	barbiturates	drug allergen
bay-k-8644 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-, Methyl ester: A dihydropyridine derivative, which, in contrast to NIFEDIPINE, functions as a calcium channel agonist. The compound facilitates Ca2+ influx through partially activated voltage-dependent Ca2+ channels, thereby causing vasoconstrictor and positive inotropic effects. It is used primarily as a research tool.. Bay-K-8644 : A racemate comprising equimolar amounts of (R)- and (S)-Bay-K-8644. methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate : A pentasubstituted dihydropyridine carrying methoxycarbonyl, 2-(trifluoromethyl)phenyl and nitro substituents at positions 3, 4 and 5 respectively as well as two methyl substituents at positions 2 and 6.	1.99	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
bemegride Bemegride: A CNS stimulant that is used to induce convulsions in experimental animals. It has also been used as a respiratory stimulant and in the treatment of barbiturate overdose.	1.94	1	0	piperidones
benserazide Benserazide: An inhibitor of DOPA DECARBOXYLASE that does not enter the central nervous system. It is often given with LEVODOPA in the treatment of parkinsonism to prevent the conversion of levodopa to dopamine in the periphery, thereby increasing the amount that reaches the central nervous system and reducing the required dose. It has no antiparkinson actions when given alone.. benserazide : A carbohydrazide that results from the formal condensation of the carboxy group of DL-serine with the primary amino group of 4-(hydrazinylmethyl)benzene-1,2,3-triol. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as its hydrochloride salt as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide has no antiparkinson actions when given alone.	3.22	6	0	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
benzamidine benzamidine: RN given refers to parent cpd. benzamidine : A carboxamidine that is benzene carrying an amidino group.	7.38	2	0	benzenes; carboxamidine	serine protease inhibitor
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.03	1	0	1-benzofurans; aromatic ketone	uricosuric drug
benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.	2.51	2	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
benzocaine Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.	2.37	2	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
benzothiazide benzothiazide: structure. benzthiazide : 7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema.	4.03	4	0	benzothiadiazine; sulfonamide	antihypertensive agent; diuretic
berberine [no description available]	2.53	2	0	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker
diminazene Diminazene: An effective trypanocidal agent.. diminazene : A triazene derivative that is triazene in which each of the terminal nitrogens is substituted by a 4-carbamimidoylphenyl group.	2.02	1	0	carboxamidine; triazene derivative	antiparasitic agent; trypanocidal drug
5-methoxypsoralen 5-Methoxypsoralen: A linear furanocoumarin that has phototoxic and anti-inflammatory properties, with effects similar to METHOXSALEN. It is used in PUVA THERAPY for the treatment of PSORIASIS.. 5-methoxypsoralen : A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5.	2	1	0	5-methoxyfurocoumarin; organic heterotricyclic compound; psoralens	hepatoprotective agent; plant metabolite
betaxolol [no description available]	2.1	1	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bethanechol Bethanechol: A slowly hydrolyzing muscarinic agonist with no nicotinic effects. Bethanechol is generally used to increase smooth muscle tone, as in the GI tract following abdominal surgery or in urinary retention in the absence of obstruction. It may cause hypotension, HEART RATE changes, and BRONCHIAL SPASM.. bethanechol : The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.	2.88	4	0	carbamate ester; quaternary ammonium ion	muscarinic agonist
2,5-di-tert-butylhydroquinone 2,5-di-tert-butylbenzene-1,4-diol : A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5.	2.02	1	0	hydroquinones
bisindolylmaleimide i bisindolylmaleimide I: a bis(indolyl)maleimide	2.4	2	0
bisoprolol Bisoprolol: A cardioselective beta-1 adrenergic blocker. It is effective in the management of HYPERTENSION and ANGINA PECTORIS.	2.1	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bumetanide [no description available]	2.1	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine Bupivacaine: A widely used local anesthetic agent.. 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide : A piperidinecarboxamide obtained by formal condensation of the carboxy group of N-butylpipecolic acid with the amino group of 2,6-dimethylaniline.. bupivacaine : A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic.	2.03	1	0	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.. buspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.	3.82	2	1	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
busulfan [no description available]	2.64	3	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
caffeine [no description available]	5.71	20	1	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	3.95	13	0	aromatic ether; nitrile; polyether; tertiary amino compound
beta-glycerophosphoric acid beta-glycerophosphoric acid: plays role in mineralization of bone in vitro. glycerol 2-phosphate : A glycerol monophosphate having the phosphate group at the 2-position.	2.41	1	0	glycerol monophosphate	Escherichia coli metabolite; plant metabolite
calmidazolium calmidazolium: powerful inhibitor of or red blood cell Ca++-ATPase & Ca++ transport into inside-out red blood cell vesicles; RN refers to chloride; structure in first source; an antagonist of calmodulin. calmidazolium : An imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an antagonist of calmodulin, a calcium binding messenger protein.	1.97	1	0	imidazolium ion	apoptosis inducer; calmodulin antagonist
camostat camostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients.	3.33	2	0	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor
camphor, (+-)-isomer [no description available]	2.9	4	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
candesartan candesartan: a nonpeptide angiotensin II receptor antagonist. candesartan : A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.	1.98	1	0	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
carbamazepine Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.	4.7	6	1	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbidopa [no description available]	2.1	1	0	benzenes; monocarboxylic acid
carmustine Carmustine: A cell-cycle phase nonspecific alkylating antineoplastic agent. It is used in the treatment of brain tumors and various other malignant neoplasms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p462) This substance may reasonably be anticipated to be a carcinogen according to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (From Merck Index, 11th ed). carmustine : A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.	3.13	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
carvedilol [no description available]	2.72	3	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.	3.06	5	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
celiprolol Celiprolol: A cardioselective beta-1 adrenergic antagonist that has intrinsic sympathomimetic activity. It is used in the management of ANGINA PECTORIS and HYPERTENSION.	2.1	1	0	aromatic ketone
cetirizine Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.	2.05	1	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.	2.91	4	0	quaternary ammonium ion
cgp 12177 CGP 12177 : A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group.	2.03	1	0	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
chlamydocin chlamydocin: structure	2.07	1	0
chloral hydrate [no description available]	2.35	2	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
chlorambucil Chlorambucil: A nitrogen mustard alkylating agent used as antineoplastic for chronic lymphocytic leukemia, Hodgkin's disease, and others. Although it is less toxic than most other nitrogen mustards, it has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP 85-002, 1985). (Merck Index, 11th ed). chlorambucil : A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.	9.44	7	0	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
chlordiazepoxide Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.. chlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.	2.35	2	0	benzodiazepine
chloroquine Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.. chloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.	4.35	21	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
chlorothiazide Chlorothiazide: A thiazide diuretic with actions and uses similar to those of HYDROCHLOROTHIAZIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p812). thiazide : Heterocyclic compound with sulfur and nitrogen in the ring.. chlorothiazide : 4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension.	1.94	1	0	benzothiadiazine	antihypertensive agent; diuretic
chlorpheniramine Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.	2.48	2	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.	6.33	31	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorpropamide Chlorpropamide: A sulfonylurea hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277). chlorpropamide : An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is substituted by 4-chlorobenzenesulfonyl group and a hydrogen attached to the other nitrogen is substituted by propyl group. Chlorpropamide is a hypoglycaemic agent used in the treatment of type 2 (non-insulin-dependent) diabetes mellitus not responding to dietary modification.	2.67	3	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorpyrifos Chlorpyrifos: An organothiophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. chlorpyrifos : An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group.	2	1	0	chloropyridine; organic thiophosphate	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic
chlorthalidone Chlorthalidone: A benzenesulfonamide-phthalimidine that tautomerizes to a BENZOPHENONES form. It is considered a thiazide-like diuretic.	1.94	1	0	isoindoles; monochlorobenzenes; sulfonamide
ciglitazone ciglitazone: structure given in second source; PPAR agonist used for type II diabetes. ciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist.	2.03	1	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cilostazol [no description available]	2.04	1	0	lactam; tetrazoles	anticoagulant; bronchodilator agent; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; fibrin modulating drug; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent
cimaterol [no description available]	1.98	1	0	benzenes; nitrile
cimetidine Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.	2.71	3	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
cinoxacin Cinoxacin: Synthetic antimicrobial related to OXOLINIC ACID and NALIDIXIC ACID and used in URINARY TRACT INFECTIONS.. cinoxacin : A member of the class of cinnolines that is 6,7-methylenedioxycinnolin-4(1H)-one bearing an ethyl group at position 1 and a carboxylic acid group at position 3. An analogue of oxolinic acid, it has similar antibacterial actions. It was formerly used for the treatment of urinary tract infections.	2.1	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	3.4	6	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
cirazoline cirazoline: posseses agonist properties at alpha-adrenoreceptor sites; RN given refers to parent cpd	2	1	0	aromatic ether
cisapride Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed). cisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.	2.02	1	0	benzamides
citalopram Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia.. citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active.. 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group.	2.75	3	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clofazimine Clofazimine: A fat-soluble riminophenazine dye used for the treatment of leprosy. It has been used investigationally in combination with other antimycobacterial drugs to treat Mycobacterium avium infections in AIDS patients. Clofazimine also has a marked anti-inflammatory effect and is given to control the leprosy reaction, erythema nodosum leprosum. (From AMA Drug Evaluations Annual, 1993, p1619). clofazimine : 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients.	3.25	1	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate angiokapsul: contains clofibrate & insoitolnicotinate	8.06	5	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clofibric acid Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE.. clofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.	2.37	2	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
clofilium clofilium: RN given refers to parent cpd; structure	2.02	1	0	benzenes; organic amino compound
clomipramine Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.. clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.	2.1	1	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clonazepam Clonazepam: An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of GAMMA-AMINOBUTYRIC ACID receptor responses.. clonazepam : 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation.	1.95	1	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.	2	1	0	clonidine; imidazoline
clotrimazole [no description available]	2.6	1	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
4-cresol 4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals.	2.49	2	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
cyclobenzaprine cyclobenzaprine: RN given refers to parent cpd; Lisseril is synonymous for HCl; structure. cyclobenzaprine : 5-Methylidene-5H-dibenzo[a,d]cycloheptene in which one of the hydrogens of the methylidene group is substituted by a 2-(dimethylamino)ethyl group. A centrally acting skeletal muscle relaxant, it is used as its hydrochloride salt in the symptomatic treatment of painful muscle spasm.	2.1	1	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
cycloleucine Cycloleucine: An amino acid formed by cyclization of leucine. It has cytostatic, immunosuppressive and antineoplastic activities.. 1-aminocyclopentanecarboxylic acid : A non-proteinogenic alpha-amino acid that is cyclopentane substituted at position 1 by amino and carboxy groups.	3.75	11	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyproheptadine Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.. cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.	4.3	6	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
cystamine [no description available]	3.46	2	0	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
dapi DAPI: RN given refers to parent cpd.	2.43	2	0	indoles	fluorochrome
dapsone [no description available]	2.67	3	0	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
debrisoquin Debrisoquin: An adrenergic neuron-blocking drug similar in effects to GUANETHIDINE. It is also noteworthy in being a substrate for a polymorphic cytochrome P-450 enzyme. Persons with certain isoforms of this enzyme are unable to properly metabolize this and many other clinically important drugs. They are commonly referred to as having a debrisoquin 4-hydroxylase polymorphism.	2	1	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
decanoic acid decanoate : A fatty acid anion 10:0 that is the conjugate base of decanoic acid.. decanoic acid : A C10, straight-chain saturated fatty acid.	2.1	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone 2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone: ubiquinol analog. 6-decylubiquinone : A member of the class of 1,4-benzoquinones that is 2,3-dimethoxybenzoquinone which has been substituted at positions 5 and 6 by decyl and methyl groups.	2.01	1	0	1,4-benzoquinones	cofactor
deferoxamine Deferoxamine: Natural product isolated from Streptomyces pilosus. It forms iron complexes and is used as a chelating agent, particularly in the mesylate form.. desferrioxamine B : An acyclic desferrioxamine that is butanedioic acid in which one of the carboxy groups undergoes formal condensation with the primary amino group of N-(5-aminopentyl)-N-hydroxyacetamide and the second carboxy group undergoes formal condensation with the hydroxyamino group of N(1)-(5-aminopentyl)-N(1)-hydroxy-N(4)-[5-(hydroxyamino)pentyl]butanediamide. It is a siderophore native to Streptomyces pilosus biosynthesised by the DesABCD enzyme cluster as a high affinity Fe(III) chelator.	3.09	5	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
dequalinium Dequalinium: A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.. dequalinium : A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.	7.41	2	0	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.	6.65	17	1	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
amphetamine Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine.	6.45	35	0	primary amine
eflornithine Eflornithine: An inhibitor of ORNITHINE DECARBOXYLASE, the rate limiting enzyme of the polyamine biosynthetic pathway.. eflornithine : A fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2.	1.97	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.	3.38	7	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diazoxide Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group.. diazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.	3.24	6	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
dibucaine Dibucaine: A local anesthetic of the amide type now generally used for surface anesthesia. It is one of the most potent and toxic of the long-acting local anesthetics and its parenteral use is restricted to spinal anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1006). cinchocaine : A monocarboxylic acid amide that is the 2-(diethylamino)ethyl amide of 2-butoxyquinoline-4-carboxylic acid. One of the most potent and toxic of the long-acting local anesthetics, its parenteral use was restricted to spinal anesthesia. It is now generally only used (usually as the hydrochloride) in creams and ointments and in suppositories for temporary relief of pain and itching associated with skin and anorectal conditions.	1.99	1	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dibutyl phthalate Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans.	2.25	1	0	diester; phthalate ester	EC 3.2.1.20 (alpha-glucosidase) inhibitor; environmental contaminant; metabolite; plasticiser; teratogenic agent
diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.	4.9	8	1	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source	3.33	7	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
diethyl pyrocarbonate Diethyl Pyrocarbonate: Preservative for wines, soft drinks, and fruit juices and a gentle esterifying agent.. diethyl pyrocarbonate : The diethyl ester of dicarbonic acid.	3.07	5	0	acyclic carboxylic anhydride
pentetic acid Pentetic Acid: An iron chelating agent with properties like EDETIC ACID. DTPA has also been used as a chelator for other metals, such as plutonium.	2.74	3	0	pentacarboxylic acid	copper chelator
diflunisal Diflunisal: A salicylate derivative and anti-inflammatory analgesic with actions and side effects similar to those of ASPIRIN.. diflunisal : An organofluorine compound comprising salicylic acid having a 2,4-difluorophenyl group at the 5-position.	2.1	1	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
dimaprit Dimaprit: A histamine H2 receptor agonist that is often used to study the activity of histamine and its receptors.	2	1	0	imidothiocarbamic ester
dimercaprol Dimercaprol: An anti-gas warfare agent that is effective against Lewisite (dichloro(2-chlorovinyl)arsine) and formerly known as British Anti-Lewisite or BAL. It acts as a chelating agent and is used in the treatment of arsenic, gold, and other heavy metal poisoning.. dimercaprol : A dithiol that is propane-1,2-dithiol in which one of the methyl hydrogens is replaced by a hydroxy group. a chelating agent originally developed during World War II as an experimental antidote against the arsenic-based poison gas Lewisite, it has been used clinically since 1949 for the treatment of poisoning by arsenic, mercury and gold. It can also be used for treatment of poisoning by antimony, bismuth and possibly thallium, and (with sodium calcium edetate) in cases of acute leaad poisoning. Administration is by (painful) intramuscular injection of a suspension of dimercaprol in peanut oil, typically every 4 hours for 2-10 days depending on the toxicity. In the past, dimercaprol was also used for the treatment of Wilson's disease, a severely debilitating genetic disorder in which the body tends to retain copper, with resultant liver and brain injury.	2.34	2	0	dithiol; primary alcohol	chelator
dimethadione Dimethadione: An anticonvulsant that is the active metabolite of TRIMETHADIONE.	1.95	1	0	oxazolidinone
diphenhydramine Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.	2.87	4	0	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative
diphenyleneiodonium diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor. dibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine.	2.06	1	0	organic cation
benzophenone benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.	2.96	4	0	benzophenones	photosensitizing agent; plant metabolite
disopyramide Disopyramide: A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties.. disopyramide : A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug.	2.43	2	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
disulfiram [no description available]	3.33	7	0	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	3.14	5	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
racemetirosine alpha-Methyltyrosine: An inhibitor of the enzyme TYROSINE 3-MONOOXYGENASE, and consequently of the synthesis of catecholamines. It is used to control the symptoms of excessive sympathetic stimulation in patients with PHEOCHROMOCYTOMA. (Martindale, The Extra Pharmacopoeia, 30th ed)	3.22	6	0
p-chloroamphetamine p-Chloroamphetamine: Chlorinated analog of AMPHETAMINE. Potent neurotoxin that causes release and eventually depletion of serotonin in the CNS. It is used as a research tool.	1.95	1	0
thiorphan Thiorphan: A potent inhibitor of membrane metalloendopeptidase (ENKEPHALINASE). Thiorphan potentiates morphine-induced ANALGESIA and attenuates naloxone-precipitated withdrawal symptoms.	3.58	9	0	N-acyl-amino acid
domperidone Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.	3.84	2	1	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
donepezil Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.	2.94	3	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
doxepin Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.. doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.	2.01	1	0	dibenzooxepine; tertiary amino compound	antidepressant
droperidol Droperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in conjunction with an opioid analgesic such as FENTANYL to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593). droperidol : An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon.	3.78	2	1	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
dyclonine [no description available]	2.1	1	0	aromatic ketone; piperidines	topical anaesthetic
e 4031 E 4031: class III anti-arrhythmia agent; structure given in UD	2.02	1	0	sulfonamide
ebastine [no description available]	3.25	1	0	organic molecular entity
emodin Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.. emodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.	2	1	0	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor
eperisone eperisone : A racemate that is an equimolar mixture of (R)- and (S)-eperisone. It is used (as the hydrochloride salt) as a muscle relaxant for the symptomatic treatment of muscle spasm and spasticity.. 1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one : An aromatic ketone that is N-propylpiperidine in which a hydrogen at positon 2 of the propyl group is replaced by a p-ethylbenzoyl group.	1.97	1	0	aromatic ketone; piperidines
erythrosine Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays.	4.12	16	0
ethacrynic acid Ethacrynic Acid: A compound that inhibits symport of sodium, potassium, and chloride primarily in the ascending limb of Henle, but also in the proximal and distal tubules. This pharmacological action results in excretion of these ions, increased urinary output, and reduction in extracellular fluid. This compound has been classified as a loop or high ceiling diuretic.. etacrynic acid : An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor.	2.89	4	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups.	1.96	1	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
ethosuximide Ethosuximide: An anticonvulsant especially useful in the treatment of absence seizures unaccompanied by other types of seizures.. ethosuximide : A dicarboximide that is pyrrolidine-2,5-dione in which the hydrogens at position 3 are substituted by one methyl and one ethyl group. An antiepileptic, it is used in the treatment of absence seizures and may be used for myoclonic seizures, but is ineffective against tonic-clonic seizures.	1.94	1	0	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
ethylenediamine ethylenediamine: RN given refers to parent cpd; edamine is the recommended contraction for the ethylenediamine radical. ethylenediamine : An alkane-alpha,omega-diamine in which the alkane is ethane.	2.46	2	0	alkane-alpha,omega-diamine	GABA agonist
etidronate Etidronic Acid: A diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover.. etidronic acid : A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.	2.6	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
fenbufen fenbufen: structure; RN given refers to parent cpd	2.41	2	0	4-oxo monocarboxylic acid; biphenyls	non-steroidal anti-inflammatory drug
fendiline Fendiline: Coronary vasodilator; inhibits calcium function in muscle cells in excitation-contraction coupling; proposed as antiarrhythmic and antianginal agents.	2.1	1	0	diarylmethane
berotek Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction.	2.03	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
fentanyl Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078). fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.	4.05	3	1	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
fexofenadine fexofenadine: a second generation antihistamine; metabolite of the antihistaminic drug terfenadine; structure in first source; RN refers to HCl. fexofenadine : A piperidine-based anti-histamine compound.	7.78	3	0	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
flecainide Flecainide: A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial ARRHYTHMIAS and TACHYCARDIAS.. flecainide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart).	2.1	1	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fleroxacin Fleroxacin: A broad-spectrum antimicrobial fluoroquinolone. The drug strongly inhibits the DNA-supercoiling activity of DNA GYRASE.. fleroxacin : A fluoroquinolone antibiotic that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6, 7 and 8 by 2-fluoroethyl, carboxy, fluoro, 4-methylpiperazin-1-yl and fluoro groups, respectively. It is active against many Gram-positive and Gram-negative bacteria.	2.1	1	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
flopropione flopropione: structure	2.07	1	0	organic molecular entity
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	9.38	4	1	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine Flucytosine: A fluorinated cytosine analog that is used as an antifungal agent.. flucytosine : An organofluorine compound that is cytosine that is substituted at position 5 by a fluorine. A prodrug for the antifungal 5-fluorouracil, it is used for the treatment of systemic fungal infections.	1.95	1	0	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16). flufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.	2.69	3	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluphenazine [no description available]	1.94	1	0	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug
flumazenil Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses.. flumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose.	1.99	1	0	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
flumequine flumequine: structure. flumequine : A racemate comprising equimolar amounts of R- and S-flumequine. A broad-spectrum antibiotic, formerly used in veterinary medicine for stock breeding and treatment of aquacultures.. 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid : A member of the class of pyridoquinolines that is 1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline carrying additional carboxy, methyl and fluoro substituents at positions 2, 5 and 9 respectively.	2.1	1	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
fluorescite fluorescein (acid form) : A xanthene dye that is highly fluorescent and commonly used as a fluorescent tracer.	2.05	1	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	6.72	33	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.	2.75	3	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.	7.97	4	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluspirilene Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.	2.1	1	0	diarylmethane
flutamide Flutamide: An antiandrogen with about the same potency as cyproterone in rodent and canine species.	2.17	1	0	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
fomepizole Fomepizole: A pyrazole and competitive inhibitor of ALCOHOL DEHYDROGENASE that is used for the treatment of poisoning by ETHYLENE GLYCOL or METHANOL.. fomepizole : A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.	2.67	3	0	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent
fpl 64176 FPL 64176: an activator of L-type calcium channels; structure given in first source. FPL 64176 : 1H-Pyrrole substituted at C-2 and -5 by methyl groups, at C-3 by methoxycarbonyl and at C-4 by a 2-benzylbenzoyl group.	2.01	1	0	carboxylic ester; pyrroles	calcium channel agonist
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	3.11	5	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gabapentin Gabapentin: A cyclohexane-gamma-aminobutyric acid derivative that is used for the treatment of PARTIAL SEIZURES; NEURALGIA; and RESTLESS LEGS SYNDROME.. gabapentin : A gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome.	2.92	4	0	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
gabexate Gabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.	3.33	2	0	benzoate ester
gemfibrozil [no description available]	4.3	4	1	aromatic ether	antilipemic drug
gentamicin Gentamicins: A complex of closely related aminoglycosides obtained from MICROMONOSPORA purpurea and related species. They are broad-spectrum antibiotics, but may cause ear and kidney damage. They act to inhibit PROTEIN BIOSYNTHESIS.	3.74	3	0
2,5-dihydroxybenzoic acid 2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin. 2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.	2.15	1	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
glafenine Glafenine: An anthranilic acid derivative with analgesic properties used for the relief of all types of pain.. glafenine : A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market.	2.05	1	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide Gliclazide: An oral sulfonylurea hypoglycemic agent which stimulates insulin secretion.	6.94	8	3	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glimepiride glimepiride: structure given in first source	9.88	17	3	sulfonamide
glipizide Glipizide: An oral hypoglycemic agent which is rapidly absorbed and completely metabolized.. glipizide : An N-sulfonylurea that is glyburide in which the (5-chloro-2-methoxybenzoyl group is replaced by a (5-methylpyrazin-2-yl)carbonyl group. An oral hypoglycemic agent, it is used in the treatment of type 2 diabetes mellitus.	6.13	9	1	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue
glutaral Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.	3.5	8	0	dialdehyde	cross-linking reagent; disinfectant; fixative
glyburide Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide. glyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.	12.89	50	13	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
guaifenesin Guaifenesin: An expectorant that also has some muscle relaxing action. It is used in many cough preparations.	5.14	3	1	methoxybenzenes
guanethidine Guanethidine: An antihypertensive agent that acts by inhibiting selectively transmission in post-ganglionic adrenergic nerves. It is believed to act mainly by preventing the release of norepinephrine at nerve endings and causes depletion of norepinephrine in peripheral sympathetic nerve terminals as well as in tissues.. guanethidine : A member of the class of guanidines in which one of the hydrogens of the amino group has been replaced by a 2-azocan-1-ylethyl group.. guanethidine sulfate : A organic sulfate salt composed of two molecules of guanethidine and one of sulfuric acid.	2.34	2	0	azocanes; guanidines	adrenergic antagonist; antihypertensive agent; sympatholytic agent
guanidine Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines.	4.74	30	0	carboxamidine; guanidines; one-carbon compound
1-(5-isoquinolinesulfonyl)-2-methylpiperazine 1-(5-Isoquinolinesulfonyl)-2-Methylpiperazine: A specific protein kinase C inhibitor, which inhibits superoxide release from human neutrophils (PMN) stimulated with phorbol myristate acetate or synthetic diacylglycerol.. 1-(5-isoquinolinesulfonyl)-2-methylpiperazine : A member of the class of N-sulfonylpiperazines that is 2-methylpiperazine substituted at position 1 by a 5-isoquinolinesulfonyl group.	2.39	2	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	5.16	11	1	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
halothane [no description available]	4.95	9	1	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
harmaline Harmaline: A beta-carboline alkaloid isolated from seeds of PEGANUM.. harmaline : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.	3.21	6	0	harmala alkaloid	oneirogen
hexachlorophene Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797). hexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.	1.95	1	0	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
hexamethonium Hexamethonium: A nicotinic cholinergic antagonist often referred to as the prototypical ganglionic blocker. It is poorly absorbed from the gastrointestinal tract and does not cross the blood-brain barrier. It has been used for a variety of therapeutic purposes including hypertension but, like the other ganglionic blockers, it has been replaced by more specific drugs for most purposes, although it is widely used a research tool.	1.98	1	0	quaternary ammonium salt
hexobarbital Hexobarbital: A barbiturate that is effective as a hypnotic and sedative.. hexobarbital : A member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups.	8.2	6	0	barbiturates
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.	9.4	22	0	phenanthridines	fluorochrome; intercalator
hycanthone Hycanthone: Potentially toxic, but effective antischistosomal agent, it is a metabolite of LUCANTHONE.. hycanthone : A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.	1.95	1	0	thioxanthenes	mutagen; schistosomicide drug
hydrochlorothiazide Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.	2.37	2	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
p-hydroxyamphetamine p-Hydroxyamphetamine: Amphetamine metabolite with sympathomimetic effects. It is sometimes called alpha-methyltyramine, which may also refer to the meta isomer, gepefrine.	2.36	2	0	amphetamines
hydroxychloroquine Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970). hydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions.	1.95	1	0	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug
hydroxyurea [no description available]	3.47	8	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
hypericin [no description available]	2.02	1	0
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	6.31	7	2	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
phenelzine Phenelzine: One of the MONOAMINE OXIDASE INHIBITORS used to treat DEPRESSION; PHOBIC DISORDERS; and PANIC.	8.19	6	0	primary amine
lidocaine Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.	4.87	8	1	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
mephentermine Mephentermine: A sympathomimetic agent with specificity for alpha-1 adrenergic receptors. It is used to maintain BLOOD PRESSURE in hypotensive states such as following SPINAL ANESTHESIA.	2.38	2	0	amphetamines
imipramine Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.	6.84	21	1	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.	9.54	25	0	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic
indoprofen Indoprofen: A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p21). indoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein.	2.41	1	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
iodoacetamide [no description available]	2.66	3	0
indolepropionic acid indolepropionic acid: structure in third source. 3-(1H-indol-3-yl)propanoic acid : An indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3.	2.15	1	0	indol-3-yl carboxylic acid	auxin; human metabolite; plant metabolite
iproniazid [no description available]	3.89	13	0	carbohydrazide; pyridines
irsogladine irsogladine: RN given refers to parent cpd; MN 1695 refers to maleate salt	3.09	1	0	dichlorobenzene
1-methyl-3-isobutylxanthine 1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES. 3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.	3.07	5	0	3-isobutyl-1-methylxanthine
isocarboxazid Isocarboxazid: An MAO inhibitor that is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in the treatment of panic disorder and the phobic disorders. (From AMA, Drug Evaluations Annual, 1994, p311)	7.86	4	0	benzenes
isoflurane Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects.	1.97	1	0	organofluorine compound	inhalation anaesthetic
isoniazid Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC).	7.89	4	0	carbohydrazide	antitubercular agent; drug allergen
2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.	3.23	6	0	secondary alcohol; secondary fatty alcohol	protic solvent
isoproterenol Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.. isoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.	5.89	33	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
isradipine Isradipine: A potent antagonist of CALCIUM CHANNELS that is highly selective for VASCULAR SMOOTH MUSCLE. It is effective in the treatment of chronic stable angina pectoris, hypertension, and congestive cardiac failure.	2.41	2	0	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester
staurosporine aglycone staurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor	2.06	1	0
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	1.95	1	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.. ketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group.	7.39	2	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.	2.03	1	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	2.93	4	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
ketorolac Ketorolac: A pyrrolizine carboxylic acid derivative structurally related to INDOMETHACIN. It is an NSAID and is used principally for its analgesic activity. (From Martindale The Extra Pharmacopoeia, 31st ed). ketorolac : A racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure.. 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid : A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively.	2.1	1	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
khellin Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024). khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator.	3.25	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
kinetin Kinetin: A furanyl adenine found in PLANTS and FUNGI. It has plant growth regulation effects.. cytokinin : A phytohormone that promote cell division, or cytokinesis, in plant roots and shoots.. kinetin : A member of the class of 6-aminopurines that is adenine carrying a (furan-2-ylmethyl) substituent at the exocyclic amino group.	2.37	2	0	6-aminopurines; furans	cytokinin; geroprotector
kojic acid [no description available]	9.05	4	0	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent
kynurenic acid Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.. kynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.	3.94	13	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
3-phenyllactic acid 3-phenyllactic acid: alpha-hydroxy analog of phenylalanine; RN given refers to cpd without isomeric designation. 3-phenyllactic acid : A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group.	4.01	14	0	2-hydroxy monocarboxylic acid	human metabolite
mimosine Mimosine: 3-Hydroxy-4-oxo-1(4H)-pyridinealanine. An antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca.	2.35	2	0	alpha-amino acid
2-phenylglycine 2-phenylglycine: RN given refers to cpd without isomeric designation; structure. alpha-phenylglycine : An amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine.	3.29	6	0	non-proteinogenic alpha-amino acid	human metabolite
labetalol Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.. labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.. 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.	2.1	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lauric acid dodecanoic acid : A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.	2.4	2	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; antibacterial agent; plant metabolite
leflunomide Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.. leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.	3.43	1	1	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
tetramisole 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole : An imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group.. tetramisole : A racemate comprising equimolar amounts of levamisole and dexamisole.	3.21	6	0	imidazothiazole	environmental contaminant; xenobiotic
lidoflazine Lidoflazine: Coronary vasodilator with some antiarrhythmic action.	2.02	1	0	diarylmethane
lofepramine Lofepramine: A psychotropic IMIPRAMINE derivative that acts as a tricyclic antidepressant and possesses few anticholinergic properties. It is metabolized to DESIPRAMINE.	5.41	5	3	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
lomefloxacin lomefloxacin: structure given in first source. lomefloxacin : A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery.	2.1	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
loperamide Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.. loperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease.	9.57	12	2	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
lorazepam Lorazepam: A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent.	2.11	1	0	benzodiazepine
lorglumide lorglumide: RN given refers to (+-)-isomer. lorglumide : A racemate comprising equal amounts of (R)- and (S)-lorglumide.. N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-alpha-glutamine : A dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-(3,4-dichlorobenzoyl)glutamic acid with the amino group of dipentylamine.	1.98	1	0	benzamides; dicarboxylic acid monoamide; dichlorobenzene; glutamic acid derivative
losartan Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.. losartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position	4.18	6	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
loxapine Loxapine: An antipsychotic agent used in SCHIZOPHRENIA.	2.1	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
ly 278584 LY 278584: structure given in first source; RN given refers to cpd without isomeric designation	2.1	1	0	aromatic amide; indazoles
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	3.42	7	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
mafenide Mafenide: A sulfonamide that inhibits the enzyme CARBONIC ANHYDRASE and is used as a topical anti-bacterial agent, especially in burn therapy.	7.6	1	0	aromatic amine
maprotiline Maprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use.	2.46	2	0	anthracenes
mazindol Mazindol: Tricyclic anorexigenic agent unrelated to and less toxic than AMPHETAMINE, but with some similar side effects. It inhibits uptake of catecholamines and blocks the binding of cocaine to the dopamine uptake transporter.	2	1	0	organic molecular entity
mecamylamine Mecamylamine: A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool.	2.03	1	0	primary aliphatic amine
mechlorethamine nitrogen mustard : Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR.	6.22	28	0	nitrogen mustard; organochlorine compound	alkylating agent
meclofenamic acid Meclofenamic Acid: A non-steroidal anti-inflammatory agent with antipyretic and antigranulation activities. It also inhibits prostaglandin biosynthesis.. meclofenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.	2.38	2	0	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
mefenamic acid Mefenamic Acid: A non-steroidal anti-inflammatory agent with analgesic, anti-inflammatory, and antipyretic properties. It is an inhibitor of cyclooxygenase.. mefenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal anti-inflammatory drug, its anti-inflammatory properties are considered to be minor. It is used to relieve mild to moderate pain, including headaches, dental pain, osteoarthritis and rheumatoid arthritis.	2.44	2	0	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
memantine [no description available]	2.1	1	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
vitamin k 3 Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.	2.37	2	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
meperidine Meperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration.. pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain.	2.66	3	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
meprobamate Meprobamate: A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of ANXIETY DISORDERS, and also for the short-term management of INSOMNIA but has largely been superseded by the BENZODIAZEPINES. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603)	1.94	1	0	organic molecular entity
mesalamine Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.	5.05	3	1	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
mescaline Mescaline: Hallucinogenic alkaloid isolated from the flowering heads (peyote) of Lophophora (formerly Anhalonium) williamsii, a Mexican cactus used in Indian religious rites and as an experimental psychotomimetic. Among its cellular effects are agonist actions at some types of serotonin receptors. It has no accepted therapeutic uses although it is legal for religious use by members of the Native American Church.. mescaline : A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups.	4.65	9	0	methoxybenzenes; phenethylamine alkaloid; primary amino compound	hallucinogen
mesoridazine Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE.. mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group.	2.1	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
metaproterenol Metaproterenol: A beta-2 adrenergic agonist used in the treatment of ASTHMA and BRONCHIAL SPASM.. orciprenaline : A racemate composed of equimolar amounts of (R)- and (S)-orciprenaline. Used (as its sulfate salt) to relax the airway muscles and improve breathing for patients suffering from asthma or bronchitis.. 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol : A member of the class of resorcinols bearing an additional 1-hydroxy-2-(isopropanylamino)ethyl substituent at position 5 of resorcinol itself.	1.99	1	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	13.72	55	17	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methacrylic acid methacrylic acid: RN given refers to parent cpd. methacrylic acid : An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group.	3.26	6	0	alpha,beta-unsaturated monocarboxylic acid
methadone Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3). methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.. 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.	9.45	5	1	benzenes; diarylmethane; ketone; tertiary amino compound
methiothepin Methiothepin: A serotonin receptor antagonist in the CENTRAL NERVOUS SYSTEM used as an antipsychotic.. methiothepin : A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).	2.03	1	0	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist
methoxsalen Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.	2	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
methoxyflurane Methoxyflurane: An inhalation anesthetic. Currently, methoxyflurane is rarely used for surgical, obstetric, or dental anesthesia. If so employed, it should be administered with NITROUS OXIDE to achieve a relatively light level of anesthesia, and a neuromuscular blocking agent given concurrently to obtain the desired degree of muscular relaxation. (From AMA Drug Evaluations Annual, 1994, p180). methoxyflurane : An ether in which the two groups attached to the central oxygen atom are methyl and 2,2-dichloro-1,1-difluoroethyl.	2.66	3	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
methoxyphenamine methoxyphenamine: structure. methoxyphenamine : An amphetamine methylated on nitrogen and with the phenyl ring methoxylated at C-2. A beta-adrenergic receptor agonist, it is used as a bronchodilator.	2.1	1	0	amphetamines	beta-adrenergic agonist; bronchodilator agent
nocodazole [no description available]	2.02	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
methyl salicylate methyl salicylate: used in over-the-counter liniments, ointments, lotions for relief of musculoskeletal aches and pains; has hemolytic effect on human & sheep erythrocytes; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5990. methyl salicylate : A benzoate ester that is the methyl ester of salicylic acid.	3.18	4	0	benzoate ester; methyl ester; salicylates	flavouring agent; insect attractant; metabolite
3-Hydroxy-alpha-methyl-DL-tyrosine [no description available]	2.1	1	0	benzenes; monocarboxylic acid
methyl methanesulfonate [no description available]	2.39	2	0	methanesulfonate ester	alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen
methylphenidate Methylphenidate: A central nervous system stimulant used most commonly in the treatment of ATTENTION DEFICIT DISORDER in children and for NARCOLEPSY. Its mechanisms appear to be similar to those of DEXTROAMPHETAMINE. The d-isomer of this drug is referred to as DEXMETHYLPHENIDATE HYDROCHLORIDE.. methylphenidate : A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.. methyl phenyl(piperidin-2-yl)acetate : A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group.	4.17	5	0	beta-amino acid ester; methyl ester; piperidines
metoclopramide Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic.. metoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.	2.1	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metolazone Metolazone: A quinazoline-sulfonamide derived DIURETIC that functions by inhibiting SODIUM CHLORIDE SYMPORTERS.. metolazone : A quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics.	6.95	1	0	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
metoprolol Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.. metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.	2.73	3	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.	2.94	4	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
metyrapone Metyrapone: An inhibitor of the enzyme STEROID 11-BETA-MONOOXYGENASE. It is used as a test of the feedback hypothalamic-pituitary mechanism in the diagnosis of CUSHING SYNDROME.. metyrapone : An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.	2.65	3	0	aromatic ketone	antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mexiletine Mexiletine: Antiarrhythmic agent pharmacologically similar to LIDOCAINE. It may have some anticonvulsant properties.. mexiletine : An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol.	2.43	2	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mianserin Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.. mianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.	2.41	2	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
miconazole Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.. 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.	2.03	1	0	dichlorobenzene; ether; imidazoles
midazolam Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.	2.76	3	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
milrinone [no description available]	1.99	1	0	bipyridines; nitrile; pyridone	cardiotonic drug; EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor; platelet aggregation inhibitor; vasodilator agent
mirtazapine Mirtazapine: A piperazinoazepine tetracyclic compound that enhances the release of NOREPINEPHRINE and SEROTONIN through blockage of presynaptic ALPHA-2 ADRENERGIC RECEPTORS. It also blocks both 5-HT2 and 5-HT3 serotonin receptors and is a potent HISTAMINE H1 RECEPTOR antagonist. It is used for the treatment of depression, and may also be useful for the treatment of anxiety disorders.	2.46	2	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.	2.58	2	0	dihydroxyanthraquinone	analgesic; antineoplastic agent
modafinil Modafinil: A benzhydryl acetamide compound, central nervous system stimulant, and CYP3A4 inducing agent that is used in the treatment of NARCOLEPSY and SLEEP WAKE DISORDERS.. modafinil : A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals.. 2-[(diphenylmethyl)sulfinyl]acetamide : A sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group.	6.7	6	1	monocarboxylic acid amide; sulfoxide
molsidomine Molsidomine: A morpholinyl sydnone imine ethyl ester, having a nitrogen in place of the keto oxygen. It acts as NITRIC OXIDE DONORS and is a vasodilator that has been used in ANGINA PECTORIS.. molsidomine : A member of the class of oxadiazoles that is 1,2,3-oxadiazole substituted by morpholin-4-yl and (ethoxycarbonyl)azanidyl groups at positions 3 and 5, respectively. It is used as a vasodilator drug for the treatment of myocardial ischemic syndrome and congestive heart failure.	1.99	1	0	ethyl ester; morpholines; oxadiazole; zwitterion	antioxidant; apoptosis inhibitor; cardioprotective agent; nitric oxide donor; vasodilator agent
monodansylcadaverine monodansylcadaverine: inhibits cross linkage of fibrin. monodansylcadaverine : A sulfonamide obtained by formal condensation of the sulfo group of 5-(dimethylamino)naphthalene-1-sulfonic acid with one of the amino groups of cadaverine.	1.97	1	0	aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent
moxisylyte Moxisylyte: An alpha-adrenergic blocking agent that is used in Raynaud's disease. It is also used locally in the eye to reverse the mydriasis caused by phenylephrine and other sympathomimetic agents. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1312)	1.96	1	0	monoterpenoid
muscimol Muscimol: A neurotoxic isoxazole isolated from species of AMANITA. It is obtained by decarboxylation of IBOTENIC ACID. Muscimol is a potent agonist of GABA-A RECEPTORS and is used mainly as an experimental tool in animal and tissue studies.. muscimol : A member of the class of isoxazoles that is 1,2-oxazol-3(2H)-one substituted by an aminomethyl group at position 5. It has been isolated from mushrooms of the genus Amanita.	2.39	2	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
n(1),n(11)-diethylnorspermine N(1),N(11)-diethylnorspermine: structure given in first source	2.02	1	0
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide N-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide: calmodulin antagonist; structure given in first source. N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide : A sulfonamide that is 5-chloronaphthalene-2-sulfonamide in which one of the hydrogens of the nitrogen atom is substituted by a 4-aminobutyl group.	2.01	1	0	naphthalenes; organochlorine compound; primary amino compound; sulfonamide
n-bromoacetamide [no description available]	2.08	1	0
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	5.49	68	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
n-methylvaline N-methylvaline : An N-methylamino acid that is the N-methyl derivative of valine.	2.08	1	0	N-methyl-amino acid; valine derivative
clorgyline Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.. clorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant.	2.38	2	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
deoxyepinephrine Deoxyepinephrine: Sympathomimetic, vasoconstrictor agent.	1.95	1	0	catecholamine
n(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide N(alpha)-(2-naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide: thrombin inhibitor; RN given refers to parent cpd without isomeric designation	2.67	3	0
nafamostat nafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplastic	3.61	2	0	benzoic acids; guanidines
nalidixic acid [no description available]	3.47	8	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nan 190 1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine: RN from Toxlit. NAN 190 : An N-alkylpiperazine that consists of (2-methoxyphenyl)piperazine in which the amine hydrogen is substituted by a 4-(2-phthalimido)butyl group.	2.03	1	0	N-alkylpiperazine; N-arylpiperazine; phthalimides	serotonergic antagonist
nefazodone nefazodone: may be useful as an opiate adjunct	2.1	1	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
neostigmine Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier.. neostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor.	2.35	2	0	quaternary ammonium ion	antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor
nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.	2.41	1	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nialamide Nialamide: An MAO inhibitor that is used as an antidepressive agent.	4.08	16	0	organonitrogen compound; organooxygen compound
nifedipine Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.	2.69	3	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nimesulide nimesulide: structure. nimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.	2.03	1	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nipecotic acid nipecotic acid: RN given refers to cpd without isomeric designation. nipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group.	2.05	1	0	beta-amino acid; piperidinemonocarboxylic acid
nisoxetine nisoxetine: potent inhibitor for norepinephrine uptake into rat brain synaptosomes & brain; NM refers to (+-)-isomer; RN given refers to parent cpd; structure. nisoxetine : A secondary amino compound that is N-methyl-3-phenylpropan-1-amine substituted at position 3 by a 2-methoxyphenoxy group.	2.41	1	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
nitrazepam Nitrazepam: A benzodiazepine derivative used as an anticonvulsant and hypnotic.. nitrazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome).	1.95	1	0	1,4-benzodiazepinone; C-nitro compound	anticonvulsant; antispasmodic drug; drug metabolite; GABA modulator; sedative
nitrendipine Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.. nitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.	2.7	3	0	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; ethyl ester; methyl ester	antihypertensive agent; calcium channel blocker; geroprotector; vasodilator agent
nitroglycerin Nitroglycerin: A volatile vasodilator which relieves ANGINA PECTORIS by stimulating GUANYLATE CYCLASE and lowering cytosolic calcium. It is also sometimes used for TOCOLYSIS and explosives.. nitroglycerol : A nitrate ester that is glycerol in which nitro group(s) replace the hydrogen(s) attached to one or more of the hydroxy groups.. nitroglycerin : A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain.	2.37	2	0	nitroglycerol	explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic
norfloxacin Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.	2.48	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.. nortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.	2.1	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
npc 15437 NPC 15437: interacts with th C1 doamin of protein kinase C	2.04	1	0
o(6)-benzylguanine O(6)-benzylguanine: a suicide inhibitor of O(6)-methylguanine-DNA methyltransferase activity	1.99	1	0
octopamine Octopamine: An alpha-adrenergic sympathomimetic amine, biosynthesized from tyramine in the CNS and platelets and also in invertebrate nervous systems. It is used to treat hypotension and as a cardiotonic. The natural D(-) form is more potent than the L(+) form in producing cardiovascular adrenergic responses. It is also a neurotransmitter in some invertebrates.. octopamine : A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates.	5.64	15	0	phenylethanolamines; tyramines	neurotransmitter
ofloxacin Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication.	2.98	4	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
omeprazole Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.	2.02	1	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
ondansetron Ondansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.	2.03	1	0	carbazoles
1,2-cyclohexanediamine 1,2-cyclohexanediamine: RN given refers to cpd without isomeric designation	2.53	2	0	primary aliphatic amine
oxaprozin Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.. oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis.	3.35	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxazepam Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.	1.99	1	0	1,4-benzodiazepinone; organochlorine compound	anxiolytic drug; environmental contaminant; xenobiotic
oxidopamine Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals.. oxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).	3.28	6	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
oxiracetam oxiracetam: structure in first source	1.97	1	0	organonitrogen compound; organooxygen compound
oxotremorine Oxotremorine: A non-hydrolyzed muscarinic agonist used as a research tool.	2.4	2	0	N-alkylpyrrolidine
oxprenolol Oxprenolol: A beta-adrenergic antagonist used in the treatment of hypertension, angina pectoris, arrhythmias, and anxiety.	2.1	1	0	aromatic ether
oxymetazoline Oxymetazoline: A direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1251). oxymetazoline : A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion.	2	1	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
aminosalicylic acid Aminosalicylic Acid: An antitubercular agent often administered in association with ISONIAZID. The sodium salt of the drug is better tolerated than the free acid.. 4-aminosalicylic acid : An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4.	2.76	3	0	aminobenzoic acid; phenols	antitubercular agent
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).	8.25	6	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
fenclonine Fenclonine: A selective and irreversible inhibitor of tryptophan hydroxylase, a rate-limiting enzyme in the biosynthesis of serotonin (5-HYDROXYTRYPTAMINE). Fenclonine acts pharmacologically to deplete endogenous levels of serotonin.	10.56	173	2	phenylalanine derivative
p-fluorophenylalanine p-Fluorophenylalanine: 3-(p-Fluorophenyl)-alanine.. 4-fluorophenylalanine : A phenylalanine derivative in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.	5.9	102	0	fluoroamino acid; monofluorobenzenes; non-proteinogenic alpha-amino acid; phenylalanine derivative
4-nitrophenylacetic acid 4-nitrophenylacetic acid: don't confuse with 4-Nitrophenyl acetate, which is the ester of phenol and acetic acid. (4-nitrophenyl)acetic acid : A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the para- position by a nitro group.	2.11	1	0	C-nitro compound; phenylacetic acids
pamidronate [no description available]	4.4	1	1	phosphonoacetic acid
pantoprazole Pantoprazole: 2-pyridinylmethylsulfinylbenzimidazole proton pump inhibitor that is used in the treatment of GASTROESOPHAGEAL REFLUX and PEPTIC ULCER.. pantoprazole : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2.	2.05	1	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.	1.95	1	0	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.	6.49	46	1	aromatic amine
pd 153035 4-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source. PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.	2	1	0	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
pd 98059 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source. 2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'.	2.69	3	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
pemoline Pemoline: A central nervous system stimulant used in fatigue and depressive states and to treat hyperkinetic disorders in children.. pemoline : A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted by an amino group at position 2 and by a phenyl group at position 5. A central nervous system stimulant, it was used to treat hyperactivity disorders in children, but withdrawn from use following reports of serious hepatotoxicity.	3.5	2	0	1,3-oxazoles	central nervous system stimulant
pentamidine Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.	2.44	2	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	8.57	9	0	barbiturates	GABAA receptor agonist
pentoxifylline [no description available]	2.42	2	0	oxopurine
periciazine periciazine: was heading 1963-94 (Prov 1963-72); use PHENOTHIAZINES to search PROPERICIAZINE 1966-94. periciazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-(4-hydroxypiperidin-1-yl)propyl group at the nitrogen atom and a carbonitrile group at position 2. Periciazine is a first generation antipsychotic.	2.1	1	0	hydroxypiperidine; nitrile; phenothiazines	adrenergic antagonist; first generation antipsychotic; sedative
perphenazine Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.	2.86	4	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
phenacetin Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione	1.99	1	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenindione Phenindione: An indandione that has been used as an anticoagulant. Phenindione has actions similar to WARFARIN, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234)	1.94	1	0	aromatic ketone; beta-diketone	anticoagulant
phenobarbital Phenobarbital: A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.. phenobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups.	5.57	24	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
phenolsulfonphthalein Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.	2.71	3	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
phenoxybenzamine Phenoxybenzamine: An alpha-adrenergic antagonist with long duration of action. It has been used to treat hypertension and as a peripheral vasodilator.	4.75	10	0	aromatic amine
phentermine Phentermine: A central nervous system stimulant and sympathomimetic with actions and uses similar to those of DEXTROAMPHETAMINE. It has been used most frequently in the treatment of obesity.	3.78	2	1	primary amine	adrenergic agent; appetite depressant; central nervous system drug; central nervous system stimulant; dopaminergic agent; sympathomimetic agent
4-phenylbutyric acid 4-phenylbutyric acid: RN refers to the parent cpd. 4-phenylbutyric acid : A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation.	2.02	1	0	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug
oxophenylarsine oxophenylarsine: inhibits protein-tyrosine-phosphatase. phenylarsine oxide : An arsine oxide derived from phenylarsine.	1.99	1	0	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
phenylbutazone Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.	2.63	3	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
phenylmethylsulfonyl fluoride Phenylmethylsulfonyl Fluoride: An enzyme inhibitor that inactivates IRC-50 arvin, subtilisin, and the fatty acid synthetase complex.. phenylmethanesulfonyl fluoride : An acyl fluoride with phenylmethanesulfonyl as the acyl group.	2.38	2	0	acyl fluoride	serine proteinase inhibitor
phloretin [no description available]	2.65	3	0	dihydrochalcones	antineoplastic agent; plant metabolite
o-phthalaldehyde o-Phthalaldehyde: A reagent that forms fluorescent conjugation products with primary amines. It is used for the detection of many biogenic amines, peptides, and proteins in nanogram quantities in body fluids.. phthalaldehyde : A dialdehyde in which two formyl groups are attached to adjacent carbon centres on a benzene ring.	7.69	3	0	benzaldehydes; dialdehyde	epitope
pindolol Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638). pindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol.	2.43	2	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pioglitazone Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.	9.91	11	3	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
piperazine [no description available]	2.96	4	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
piracetam Piracetam: A compound suggested to be both a nootropic and a neuroprotective agent.	2.7	3	0	organonitrogen compound; organooxygen compound
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.	10.98	112	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
potassium iodide Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed). potassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals.	2.87	4	0	potassium salt	expectorant; radical scavenger
4-aminobenzoic acid para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.	3.08	5	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
ag 1879 3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor	2.42	2	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
prazosin Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.. prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.	3.24	6	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404). primaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.	3.21	6	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
primidone Primidone: A barbiturate derivative that acts as a GABA modulator and anti-epileptic agent. It is partly metabolized to PHENOBARBITAL in the body and owes some of its actions to this metabolite.. primidone : A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an anticonvulsant for treatment of various types of seizures.	2.35	2	0	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
proadifen Proadifen: An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.	1.94	1	0	diarylmethane
probenecid Probenecid: The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy.. probenecid : A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.	5.14	11	1	benzoic acids; sulfonamide	uricosuric drug
procainamide Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.. procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias.	2.1	1	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procaine Procaine: A local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1016).. procaine : A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol.	2.38	2	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
procarbazine Procarbazine: An antineoplastic agent used primarily in combination with mechlorethamine, vincristine, and prednisone (the MOPP protocol) in the treatment of Hodgkin's disease.. procarbazine : A benzamide obtained by formal condensation of the carboxy group of 4-[(2-methylhydrazino)methyl]benzoic acid with the amino group of isopropylamine. An antineoplastic chemotherapy drug used for treatment of Hodgkin's lymphoma. Metabolism yields azo-procarbazine and hydrogen peroxide, which results in the breaking of DNA strands.	3.13	1	0	benzamides; hydrazines	antineoplastic agent
prochlorperazine Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612). prochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.	2.34	2	0	N-alkylpiperazine; N-methylpiperazine; organochlorine compound; phenothiazines	alpha-adrenergic antagonist; antiemetic; cholinergic antagonist; dopamine receptor D2 antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic
proglumide Proglumide: A drug that exerts an inhibitory effect on gastric secretion and reduces gastrointestinal motility. It is used clinically in the drug therapy of gastrointestinal ulcers.. proglumide : A racemate composed of equal amounts of (R)- and (S)-proglumide. A non-selective CCK antagonist that was used primarily for treatment of stomach ulcers, but has been replaced by newer drugs.. N(2)-benzoyl-N,N-dipropyl-alpha-glutamine : A dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-benzoylglutamic acid with dippropylamine.	7.66	3	0	benzamides; dicarboxylic acid monoamide; glutamine derivative; racemate	anti-ulcer drug; cholecystokinin antagonist; cholinergic antagonist; delta-opioid receptor agonist; drug metabolite; gastrointestinal drug; opioid analgesic; xenobiotic metabolite
promazine Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.. promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.	7.66	3	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
promethazine Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.	2.7	3	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propafenone Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity.. propafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.	2.1	1	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propantheline Propantheline: A muscarinic antagonist used as an antispasmodic, in rhinitis, in urinary incontinence, and in the treatment of ulcers. At high doses it has nicotinic effects resulting in neuromuscular blocking.	1.94	1	0	xanthenes
propidium Propidium: Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits.	2.01	1	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
propofol Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.. propofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.	7.43	2	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
propranolol Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.	6.07	29	1	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protoporphyrin ix protoporphyrin IX: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7685. protoporphyrin : A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins.	2.46	2	0
pyrimethamine Maloprim: contains above 2 cpds	6.95	1	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
quipazine Quipazine: A pharmacologic congener of serotonin that contracts smooth muscle and has actions similar to those of tricyclic antidepressants. It has been proposed as an oxytocic.	1.99	1	0	piperazines; pyridines
ranitidine [no description available]	2.48	2	0	aralkylamine
resorcinol resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.	2.49	2	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
rimantadine Rimantadine: An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza.	2.1	1	0	alkylamine
risperidone Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA.. risperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.	2.49	2	0	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist
rolipram [no description available]	2	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
4-bromotetramisole 4-bromotetramisole: available in levo & dextro form; L-form potent inhibitor of non specific alkaline phosphatase; RN given refers to cpd without isomeric designation	2.88	4	0
2-aminopropanol 2-aminopropanol: RN given refers to cpd without isomeric designation. 2-aminopropan-1-ol : An amino alcohol that is alanine in which the carboxy group has been reduced to the corresponding alcohol.	2.06	1	0	amino alcohol; primary alcohol; primary amino compound
saccharin Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.	8.67	10	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
safrole Safrole: A member of the BENZODIOXOLES that is a constituent of several VOLATILE OILS, notably SASSAFRAS oil. It is a precursor in the synthesis of the insecticide PIPERONYL BUTOXIDE and the drug N-methyl-3,4-methylenedioxyamphetamine (MDMA).. safrole : A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive.	2.02	1	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
sevoflurane Sevoflurane: A non-explosive inhalation anesthetic used in the induction and maintenance of general anesthesia. It does not cause respiratory irritation and may also prevent PLATELET AGGREGATION.. sevoflurane : An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups.	2.05	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
linsidomine linsidomine: RN given refers to parent cpd; structure	1.99	1	0	morpholines
sodium fluoride [no description available]	2.66	3	0	fluoride salt	mutagen
sodium iodide Sodium Iodide: A compound forming white, odorless deliquescent crystals and used as iodine supplement, expectorant or in its radioactive (I-131) form as an diagnostic aid, particularly for thyroid function tests.. sodium iodide : A metal iodide salt with a Na(+) counterion.	2.45	2	0	inorganic sodium salt; iodide salt
sotalol Sotalol: An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias.. sotalol : A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.	2.48	2	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
spiperone Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA.. spiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.	1.99	1	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
stearic acid octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.	8.16	5	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
streptonigrin [no description available]	3.45	2	0	pyridines; quinolone	antimicrobial agent; antineoplastic agent
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	2.06	1	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
succinylacetone succinylacetone: inhibitor of heme biosynthesis. 4,6-dioxoheptanoic acid : A dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia.	3.51	8	0	beta-diketone; dioxo monocarboxylic acid	human metabolite
succinylcholine Succinylcholine: A quaternary skeletal muscle relaxant usually used in the form of its bromide, chloride, or iodide. It is a depolarizing relaxant, acting in about 30 seconds and with a duration of effect averaging three to five minutes. Succinylcholine is used in surgical, anesthetic, and other procedures in which a brief period of muscle relaxation is called for.. succinylcholine : A quaternary ammonium ion that is the bis-choline ester of succinic acid.	1.96	1	0	quaternary ammonium ion; succinate ester	drug allergen; muscle relaxant; neuromuscular agent
sulfamethoxazole Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.	8.56	9	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
sulfaphenazole Sulfaphenazole: A sulfonilamide anti-infective agent.. sulfaphenazole : A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.	2.41	2	0	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	2.46	2	0
sulfinpyrazone Sulfinpyrazone: A uricosuric drug that is used to reduce the serum urate levels in gout therapy. It lacks anti-inflammatory, analgesic, and diuretic properties.	3.4	1	1	pyrazolidines; sulfoxide	uricosuric drug
sulfobromophthalein Sulfobromophthalein: A phenolphthalein that is used as a diagnostic aid in hepatic function determination.	2.66	3	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
sulforaphane sulforaphane: from Cardaria draba L.. sulforaphane : An isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen.	2.05	1	0	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite
sulpiride Sulpiride: A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed). sulpiride : A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine.	7.73	3	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
sumatriptan Sumatriptan: A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of MIGRAINE DISORDERS.. sumatriptan : A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.	3.85	2	1	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
suprofen Suprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It inhibits prostaglandin synthesis and has been proposed as an anti-arthritic.. suprofen : An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.	2.1	1	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suramin Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.. suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.	2.9	4	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
gatifloxacin Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS.. gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes.	2.1	1	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tazarotene tazarotene: a topical acetylenic retinoid; a topical kerytolytic. tazarotene : The ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of psoriasis, acne, and sun-damaged skin.	2.21	1	0	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent
tegafur [no description available]	3.45	2	0	organohalogen compound; pyrimidines
temazepam Temazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.	2.05	1	0	benzodiazepine
temozolomide [no description available]	3.48	1	1	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
terbutaline Terbutaline: A selective beta-2 adrenergic agonist used as a bronchodilator and tocolytic.. terbutaline : A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.	3.28	6	0	phenylethanolamines; resorcinols	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hypoglycemic agent; sympathomimetic agent; tocolytic agent
terfenadine Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.	2.99	4	0	diarylmethane
tetracaine Tetracaine: A potent local anesthetic of the ester type used for surface and spinal anesthesia.. tetracaine : A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia.	2.39	2	0	benzoate ester; tertiary amino compound	local anaesthetic
tetraethylammonium Tetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90)	3.28	6	0	quaternary ammonium ion
thalidomide Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.	8.83	8	2	phthalimides; piperidones
theobromine Theobromine: 3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9). theobromine : A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator.	1.95	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
2,4-thiazolidinedione thiazolidine-2,4-dione: structure in first source. 1,3-thiazolidine-2,4-dione : A thiazolidenedione carrying oxo substituents at positions 2 and 4.	5.41	4	1	thiazolidenedione
thioridazine Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.. thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.	2.63	3	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
thiotepa Thiotepa: A very toxic alkylating antineoplastic agent also used as an insect sterilant. It causes skin, gastrointestinal, CNS, and bone marrow damage. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), thiotepa may reasonably be anticipated to be a carcinogen (Merck Index, 11th ed).	3.96	4	0	aziridines
thiothixene Thiothixene: A thioxanthine used as an antipsychotic agent. Its effects are similar to the phenothiazine antipsychotics.	3.04	1	0	thioxanthenes
ticlopidine Ticlopidine: An effective inhibitor of platelet aggregation commonly used in the placement of STENTS in CORONARY ARTERIES.. ticlopidine : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group.	3.1	1	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tiopronin Tiopronin: Sulfhydryl acylated derivative of GLYCINE.	2.66	3	0	N-acyl-amino acid
tolazoline Tolazoline: A vasodilator that apparently has direct actions on blood vessels and also increases cardiac output. Tolazoline can interact to some degree with histamine, adrenergic, and cholinergic receptors, but the mechanisms of its therapeutic effects are not clear. It is used in treatment of persistent pulmonary hypertension of the newborn.. tolazoline : A member of the class of imidazoles that is 4,5-dihydro-1H-imidazole substituted by a benzyl group.	1.93	1	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
tolbutamide Tolbutamide: A sulphonylurea hypoglycemic agent with actions and uses similar to those of CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). tolbutamide : An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.	10.32	18	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolmetin Tolmetin: A non-steroidal anti-inflammatory agent (ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL) similar in mode of action to INDOMETHACIN.. tolmetin : A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug.	2.68	3	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
tranexamic acid Tranexamic Acid: Antifibrinolytic hemostatic used in severe hemorrhage.	5.45	20	0	amino acid
trazodone Trazodone: A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309). trazodone : An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group.	3.65	2	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
tremorine [no description available]	1.94	1	0	N-alkylpyrrolidine
triclosan [no description available]	2.52	2	0	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
trientine Trientine: An ethylenediamine derivative used as stabilizer for EPOXY RESINS, as ampholyte for ISOELECTRIC FOCUSING and as chelating agent for copper in HEPATOLENTICULAR DEGENERATION.. TETA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 8 and 11 of a fouteen-membered ring are each substituted with a carboxymethyl group.. 2,2,2-tetramine : A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens.	1.97	1	0	polyazaalkane; tetramine	copper chelator
trifluoperazine [no description available]	2.87	4	0	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug
triflupromazine Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic.. triflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.	2.34	2	0	organofluorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; first generation antipsychotic
trimeprazine Trimeprazine: A phenothiazine derivative that is used as an antipruritic.	2.38	2	0	phenothiazines
trimethoprim Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.	9.26	19	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
trimipramine Trimipramine: Tricyclic antidepressant similar to IMIPRAMINE, but with more antihistaminic and sedative properties.. trimipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant.	2.1	1	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
troglitazone Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity.	5.59	5	1	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent
tyramine [no description available]	7.25	56	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
5-methylurapidil [no description available]	2	1	0
urethane [no description available]	2.86	4	0	carbamate ester	fungal metabolite; mutagen
venlafaxine venlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.	2.1	1	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
vesamicol vesamicol: RN given refers to parent cpd; structure	2.02	1	0	piperidines
w 7 W 7: RN given refers to parent cpd; structure; calmodulin antagonist	2.11	1	0
wb 4101 N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist.	2.41	2	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
xanthurenic acid xanthurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by hydroxy groups at C-4 and C-8.	2.07	1	0	dihydroxyquinoline; quinolinemonocarboxylic acid	animal metabolite; iron chelator; metabotropic glutamate receptor agonist; vesicular glutamate transport inhibitor
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole 3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.	2.25	1	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zinc chloride zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions.	2.42	2	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
zolpidem Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.. zolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.	3.55	2	0	imidazopyridine	central nervous system depressant; GABA agonist; sedative
zomepirac zomepirac: RN given refers to parent cpd; structure	1.96	1	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
hydrocortisone acetate hydrocortisone acetate: RN given refers to cpd without isomeric designation	1.96	1	0	cortisol ester; tertiary alpha-hydroxy ketone
mitomycin Mitomycin: An antineoplastic antibiotic produced by Streptomyces caespitosus. It is one of the bi- or tri-functional ALKYLATING AGENTS causing cross-linking of DNA and inhibition of DNA synthesis.. mitomycin : A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae.	3.45	8	0	mitomycin	alkylating agent; antineoplastic agent
corticosterone [no description available]	11.14	32	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
prednisolone Prednisolone: A glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.. prednisolone : A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.	5.42	20	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic
estriol hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone. chlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.	2.13	1	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
lysergic acid diethylamide Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood.. lysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine.	4.02	15	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
reserpine Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.. reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.	9.75	81	1	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
phentolamine Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.. phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.	3.56	9	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
sorbitol D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol).	2.66	3	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
alloxan Alloxan: Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate.. alloxan : A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups.	2.65	3	0	pyrimidone	hyperglycemic agent; metabolite
thymidine [no description available]	8.16	199	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
floxuridine Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.. floxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.	4.29	20	0	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
benzimidazole 1H-benzimidazole : The 1H-tautomer of benzimidazole.	2.49	2	0	benzimidazole; polycyclic heteroarene
triethylenemelamine Triethylenemelamine: Toxic alkylating agent used in industry; also as antineoplastic and research tool to produce chromosome aberrations and cancers.	2.86	4	0	1,3,5-triazines	alkylating agent; insect sterilant
bromouracil Bromouracil: 5-Bromo-2,4(1H,3H)-pyrimidinedione. Brominated derivative of uracil that acts as an antimetabolite, substituting for thymine in DNA. It is used mainly as an experimental mutagen, but its deoxyriboside (BROMODEOXYURIDINE) is used to treat neoplasms.. 5-bromouracil : A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.	7.35	2	0	nucleobase analogue; pyrimidines	mutagen
3,3',5-triiodothyroacetic acid tiratricol : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome.	2.01	1	0
hydroxyproline Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group.	13.58	54	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.	8.55	51	1	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
dibenzylchlorethamine Dibenzylchlorethamine: An alpha adrenergic antagonist.	1.94	1	0
dextroamphetamine Dextroamphetamine: The d-form of AMPHETAMINE. It is a central nervous system stimulant and a sympathomimetic. It has also been used in the treatment of narcolepsy and of attention deficit disorders and hyperactivity in children. Dextroamphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulating release of monamines, and inhibiting monoamine oxidase. It is also a drug of abuse and a psychotomimetic.. (S)-amphetamine : A 1-phenylpropan-2-amine that has S configuration.	12.36	20	2	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
methacetin methacetin: RN given refers to parent cpd. methacetin : A member of the class of acetamides that is paracetamol in which the hydrogen of phenolic hydroxy group has been replaced by a methyl group.	7.54	6	3	acetamides; aromatic ether
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	8.75	11	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
aldosterone [no description available]	5.07	8	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
penicillamine Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.. penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group.	3.83	12	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
cysteine [no description available]	2.71	3	0	cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite
prednisone Prednisone: A synthetic anti-inflammatory glucocorticoid derived from CORTISONE. It is biologically inert and converted to PREDNISOLONE in the liver.. prednisone : A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.	2.67	3	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug
estrone Hydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.	2.37	2	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
oxandrolone Oxandrolone: A synthetic hormone with anabolic and androgenic properties.	3.33	2	0	17beta-hydroxy steroid; 3-oxo steroid; anabolic androgenic steroid; oxa-steroid	anabolic agent; androgen
dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.	2.21	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
methoxyflurane angiotensin II amide: a diuretic peptide; from the central nervous system of the leech Erpobdella octoculata	1.94	1	0
dichlororibofuranosylbenzimidazole Dichlororibofuranosylbenzimidazole: An RNA polymerase II transcriptional inhibitor. This compound terminates transcription prematurely by selective inhibition of RNA synthesis. It is used in research to study underlying mechanisms of cellular regulation.	1.97	1	0
adrenochrome Adrenochrome: Pigment obtained by the oxidation of epinephrine.	4.24	3	0	indoles
azauridine Azauridine: A triazine nucleoside used as an antineoplastic antimetabolite. It interferes with pyrimidine biosynthesis thereby preventing formation of cellular nucleic acids. As the triacetate, it is also effective as an antipsoriatic.	1.95	1	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
penicillin g Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.. benzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.	9.85	11	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
idoxuridine [no description available]	5.52	17	1	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
metaraminol Metaraminol: A sympathomimetic agent that acts predominantly at alpha-1 adrenergic receptors. It has been used primarily as a vasoconstrictor in the treatment of HYPOTENSION.. metaraminol : A member of the class of phenylethanolamines that is 2-amino-1-phenylethanol substituted by a methyl group at position 2 and a phenolic hydroxy group at position 1. A sympathomimetic agent , it is used in the treatment of hypotension.	2.63	3	0	phenylethanolamines	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
pilocarpine Pilocarpine: A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.. (+)-pilocarpine : The (+)-enantiomer of pilocarpine.	3.76	3	0	pilocarpine	antiglaucoma drug
dimethylphenylpiperazinium iodide Dimethylphenylpiperazinium Iodide: A selective nicotinic cholinergic agonist used as a research tool. DMPP activates nicotinic receptors in autonomic ganglia but has little effect at the neuromuscular junction.	2.03	1	0	N-arylpiperazine; organic iodide salt; piperazinium salt; quaternary ammonium salt	nicotinic acetylcholine receptor agonist
pentylenetetrazole Pentylenetetrazole: A pharmaceutical agent that displays activity as a central nervous system and respiratory stimulant. It is considered a non-competitive GAMMA-AMINOBUTYRIC ACID antagonist. Pentylenetetrazole has been used experimentally to study seizure phenomenon and to identify pharmaceuticals that may control seizure susceptibility.. pentetrazol : An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis.	4.93	12	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
triiodothyronine Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.	11.49	36	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
diethylnitrosamine Diethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties.. N-nitrosodiethylamine : A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.	1.96	1	0	nitrosamine	carcinogenic agent; hepatotoxic agent; mutagen
isonicotinic acid isonicotinic acid : A pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring.	2.1	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
pheniprazine pheniprazine: was heading 1963-94; use HYDRAZINES to search PHENIPRAZINE 1966-94	1.94	1	0	amphetamines
methyldimethylaminoazobenzene Methyldimethylaminoazobenzene: A very potent liver carcinogen.. 3-methyl-4'-dimethylaminoazobenzene : A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 3 by a methyl group, while the other is substituted at position 4 by a dimethylamino group. It is a potent liver carcinogen.	2.35	2	0
isoflurophate Isoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM.	4.58	27	0	dialkyl phosphate
biguanides Biguanides: Derivatives of biguanide (the structure formula HN(C(NH)NH2)2) that are primarily used as oral HYPOGLYCEMIC AGENTS for the treatment of DIABETES MELLITUS, TYPE 2 and PREDIABETES.. biguanides : A class of oral hypoglycemic drugs used for diabetes mellitus or prediabetes treatment. They have a structure based on the 2-carbamimidoylguanidine skeleton.	5.18	6	0	guanidines
dipropylenetriame N-(3-aminopropyl)-1,3-propanediamine: structure in first source	2.1	1	0	polyazaalkane	algal metabolite; plant metabolite
carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups.	4.04	15	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	17.32	1,202	11	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	15.1	711	2	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	10.03	236	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	16.2	528	12	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.	16.23	342	17	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	19.46	1,109	24	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
allyl isothiocyanate allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure. allyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.	2.21	1	0	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite
cyanides Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide.	6.59	68	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
chlorobutanol [no description available]	1.94	1	0	tertiary alcohol
physostigmine Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.	5.94	8	1	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
sulfamic acid sulfamic acid: standard in alkalimetry; RN given refers to parent cpd; structure. sulfamic acid : The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms.	2.55	2	0	sulfamic acids
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	10.71	104	5	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
ethinyl estradiol Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.. 17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.	3.43	1	1	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
tubocurarine Tubocurarine: A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.. tubocurarine : A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.. isoquinoline alkaloid : Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.	1.98	1	0	bisbenzylisoquinoline alkaloid	drug allergen; muscle relaxant; nicotinic antagonist
9,10-dimethyl-1,2-benzanthracene 9,10-Dimethyl-1,2-benzanthracene: Polycyclic aromatic hydrocarbon found in tobacco smoke that is a potent carcinogen.. 7,12-dimethyltetraphene : A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.	3.5	8	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
apomorphine Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.	2.65	3	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
aminopyrine Aminopyrine: A pyrazolone with analgesic, anti-inflammatory, and antipyretic properties but has risk of AGRANULOCYTOSIS. A breath test with 13C-labeled aminopyrine has been used as a non-invasive measure of CYTOCHROME P-450 metabolic activity in LIVER FUNCTION TESTS.. aminophenazone : A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties.	11.06	9	1	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
tetrabenazine 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one : A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.	6.3	12	1	benzoquinolizine; cyclic ketone; tertiary amino compound
adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.	5.39	60	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.	2	1	0	tetrachlorophenol	xenobiotic metabolite
uridine [no description available]	6.66	223	0	uridines	drug metabolite; fundamental metabolite; human metabolite
uridine monophosphate Uridine Monophosphate: 5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. uridine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase.	2.88	4	0	pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
uridine diphosphate Uridine Diphosphate: A uracil nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety.	2.41	1	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
kanamycin a Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components.. kanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components.	4.92	12	0	kanamycins	bacterial metabolite
bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.	4.27	19	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
galactose galactopyranose : The pyranose form of galactose.	5.42	63	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.	5.03	12	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
phenylephrine Phenylephrine: An alpha-1 adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.. phenylephrine : A member of the class of the class of phenylethanolamines that is (1R)-2-(methylamino)-1-phenylethan-1-ol carrying an additional hydroxy substituent at position 3 on the phenyl ring.	3.67	10	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
levodopa Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease	9.37	93	11	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
edetic acid Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.	5.89	102	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
p-dimethylaminoazobenzene p-Dimethylaminoazobenzene: A reagent used mainly to induce experimental liver cancer. According to the Fourth Annual Report on Carcinogens (NTP 85-002, p. 89) published in 1985, this compound may reasonably be anticipated to be a carcinogen. (Merck, 11th ed)	3.2	6	0	azobenzenes
phenylethyl alcohol Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2.	6.42	51	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.	25.22	4,187	139	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
cysteamine Cysteamine: A mercaptoethylamine compound that is endogenously derived from the COENZYME A degradative pathway. The fact that cysteamine is readily transported into LYSOSOMES where it reacts with CYSTINE to form cysteine-cysteamine disulfide and CYSTEINE has led to its use in CYSTINE DEPLETING AGENTS for the treatment of CYSTINOSIS.. cysteamine : An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2.	4.14	5	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
phlorhizin [no description available]	3.9	13	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
methoxamine Methoxamine: An alpha-1 adrenergic agonist that causes prolonged peripheral VASOCONSTRICTION.. methoxamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group and the phenyl ring is 2- and 5-substituted with methoxy groups. It is an antihypotensive agent (pressor), an agonist acting directly at alpha-adrenoceptors with selectivity for the alpha-1 adrenoceptor subtype similar to phenylephrine .	2.86	4	0	amphetamines	alpha-adrenergic agonist; antihypotensive agent
adenosine monophosphate Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.	6.94	72	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
methicillin Methicillin: One of the PENICILLINS which is resistant to PENICILLINASE but susceptible to a penicillin-binding protein. It is inactivated by gastric acid so administered by injection.. methicillin : A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 2,6-dimethoxybenzoyl group.	2.88	4	0	penicillin allergen; penicillin	antibacterial drug
n,n-dimethyltryptamine N,N-Dimethyltryptamine: An N-methylated indoleamine derivative and serotonergic hallucinogen which occurs naturally and ubiquitously in several plant species including Psychotria veridis. It also occurs in trace amounts in mammalian brain, blood, and urine, and is known to act as an agonist or antagonist of certain SEROTONIN RECEPTORS.. N,N-dimethyltryptamine : A tryptamine derivative having two N-methyl substituents on the side-chain.	3.45	2	0	tryptamine alkaloid; tryptamines
methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.	3.34	7	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
4-toluenesulfonic acid 4-toluenesulfonic acid: RN given refers to parent cpd; other RNs in 9th CI Form Index. toluene-4-sulfonic acid : An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group.	2.05	1	0	arenesulfonic acid; toluenes
leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.	22.99	2,178	70	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
ethyl methanesulfonate Ethyl Methanesulfonate: An antineoplastic agent with alkylating properties. It also acts as a mutagen by damaging DNA and is used experimentally for that effect.. ethyl methanesulfonate : A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.	2.89	4	0	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent
methacholine chloride Methacholine Chloride: A quaternary ammonium parasympathomimetic agent with the muscarinic actions of ACETYLCHOLINE. It is hydrolyzed by ACETYLCHOLINESTERASE at a considerably slower rate than ACETYLCHOLINE and is more resistant to hydrolysis by nonspecific CHOLINESTERASES so that its actions are more prolonged. It is used as a parasympathomimetic bronchoconstrictor agent and as a diagnostic aid for bronchial asthma. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1116)	3.48	1	1	quaternary ammonium salt
aniline [no description available]	2.5	2	0	anilines; primary arylamine
2-aminoisobutyric acid 2-aminoisobutyric acid: RN given refers to unlabeled cpd. 2-aminoisobutyric acid : A rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays.	4.3	19	0	2,2-dialkylglycine zwitterion; 2,2-dialkylglycine
dimethylnitrosamine Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents.	7.63	3	0	nitrosamine	geroprotector; mutagen
androstenedione Androstenedione: A delta-4 C19 steroid that is produced not only in the TESTIS, but also in the OVARY and the ADRENAL CORTEX. Depending on the tissue type, androstenedione can serve as a precursor to TESTOSTERONE as well as ESTRONE and ESTRADIOL.. androst-4-ene-3,17-dione : A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.	4.49	5	1	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
cytidine monophosphate Cytidine Monophosphate: Cytidine (dihydrogen phosphate). A cytosine nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. cytidine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase.	2.36	2	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
cytidine diphosphate Cytidine Diphosphate: Cytidine 5'-(trihydrogen diphosphate). A cytosine nucleotide containing two phosphate groups esterified to the sugar moiety. Synonyms: CRPP; cytidine pyrophosphate.	1.95	1	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite
uridine triphosphate Uridine Triphosphate: Uridine 5'-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety.	2.67	3	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
lactose Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose.	5.45	21	0	lactose
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	18.4	1,109	11	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
1,2-dipalmitoylphosphatidylcholine 1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.	4.2	16	0
n-phenylurea [no description available]	2.6	1	0	ureas
desoxycorticosterone Desoxycorticosterone: A steroid metabolite that is the 11-deoxy derivative of CORTICOSTERONE and the 21-hydroxy derivative of PROGESTERONE	3.21	6	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
colchicine (S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions.	5.19	16	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
cytidine [no description available]	4.44	23	0	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cytidine triphosphate Cytidine Triphosphate: Cytidine 5'-(tetrahydrogen triphosphate). A cytosine nucleotide containing three phosphate groups esterified to the sugar moiety.	3.07	5	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
n-hexanal [no description available]	2	1	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human urinary metabolite
uracil mustard Uracil Mustard: Nitrogen mustard derivative of URACIL. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage.	1.93	1	0	aminouracil; nitrogen mustard
oxacillin Oxacillin: An antibiotic similar to FLUCLOXACILLIN used in resistant staphylococci infections.. oxacillin : A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta.	1.94	1	0	penicillin	antibacterial agent; antibacterial drug
cycloheximide Cycloheximide: Antibiotic substance isolated from streptomycin-producing strains of Streptomyces griseus. It acts by inhibiting elongation during protein synthesis.. cycloheximide : A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus.	9.79	225	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
egtazic acid Egtazic Acid: A chelating agent relatively more specific for calcium and less toxic than EDETIC ACID.. ethylene glycol bis(2-aminoethyl)tetraacetic acid : A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively.	3.36	7	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines.	9.16	17	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
gliotoxin Gliotoxin: A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent.. gliotoxin : A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi.	7.4	2	0	dipeptide; organic disulfide; organic heterotetracyclic compound; pyrazinoindole	antifungal agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; immunosuppressive agent; mycotoxin; proteasome inhibitor
sodium citrate, anhydrous Sodium Citrate: Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.. sodium citrate : The trisodium salt of citric acid.	2	1	0	organic sodium salt	anticoagulant; flavouring agent
bromoacetate [no description available]	2.43	2	0	carboxylic acid; organohalogen compound
dimethylformamide Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups.	3.35	7	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
norethindrone Norethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.. norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.	1.97	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
cycloserine Cycloserine: Antibiotic substance produced by Streptomyces garyphalus.. D-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis).	2.65	3	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
triaziquone Triaziquone: Alkylating antineoplastic agent used mainly for ovarian tumors. It is toxic to skin, gastrointestinal tract, bone marrow and kidneys.. triaziquone : A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups.	1.94	1	0	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent
17-alpha-hydroxyprogesterone 17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.	7.47	2	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
tubercidin Tubercidin: An antibiotic purine ribonucleoside that readily substitutes for adenosine in the biological system, but its incorporation into DNA and RNA has an inhibitory effect on the metabolism of these nucleic acids.. tubercidin : An N-glycosylpyrrolopyrimidine that is adenosine in which the in the 5-membered ring that is not attached to the ribose moiety is replaced by a carbon. Tubercidin is produced in the culture broth of Streptomyces tubericidus.	2.88	4	0	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite
ampicillin Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.	3.47	8	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
mannitol [no description available]	7.3	33	1	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
cytarabine [no description available]	3.56	9	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
dithionitrobenzoic acid Dithionitrobenzoic Acid: A standard reagent for the determination of reactive sulfhydryl groups by absorbance measurements. It is used primarily for the determination of sulfhydryl and disulfide groups in proteins. The color produced is due to the formation of a thio anion, 3-carboxyl-4-nitrothiophenolate.. dithionitrobenzoic acid : An organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups.	3.47	8	0	nitrobenzoic acid; organic disulfide	indicator
ornithine Ornithine: An amino acid produced in the urea cycle by the splitting off of urea from arginine.. ornithine : An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.	12.6	139	5	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
dinitrofluorobenzene Dinitrofluorobenzene: Irritants and reagents for labeling terminal amino acid groups.. 1-fluoro-2,4-dinitrobenzene : The organofluorine compound that is benzene with a fluoro substituent at the 1-position and two nitro substituents in the 2- and 4-positions.	7.65	3	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
asparagine Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.	11.07	197	1	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
4-toluenesulfonamide 4-toluenesulfonamide: RN given refers to parent cpd. toluene-4-sulfonamide : A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4.	1.96	1	0	sulfonamide
histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.	17.1	843	6	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
n-pentanol n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia.	2.93	4	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
1,1,1-trichloroethane Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1.	2.05	1	0	chloroethanes	polar solvent
medroxyprogesterone acetate [no description available]	3.41	1	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.	20.04	1,234	24	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
threonine Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group.	16.06	462	7	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
methandrostenolone Methandrostenolone: A synthetic steroid with anabolic properties that are more pronounced than its androgenic effects. It has little progestational activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1188)	1.94	1	0	organic molecular entity
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	21.08	2,005	34	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
isoleucine Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine.	17.24	736	10	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	17.98	814	11	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
ethane Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms.	2.67	3	0	alkane; gas molecular entity	plant metabolite; refrigerant
ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges	8.44	7	0	alkene; gas molecular entity	plant hormone; refrigerant
acetylene [no description available]	2.94	4	0	alkyne; gas molecular entity; terminal acetylenic compound
methyl chloride Methyl Chloride: A hydrocarbon used as an industrial solvent. It has been used as an aerosal propellent, as a refrigerant and as a local anesthetic. (From Martindale, The Extra Pharmacopoeia, 31st ed, p1403). chlorocarbon : Compounds consisting wholly of chlorine and carbon.. chloromethane : A one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group.	1.94	1	0	chloromethanes; methyl halides	marine metabolite; mutagen; refrigerant
methylamine methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom.	7.36	2	0	methylamines; one-carbon compound; primary aliphatic amine	mouse metabolite
boranes Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron.	5.72	19	1	boranes; mononuclear parent hydride
propane Propane: A three carbon alkane with the formula H3CCH2CH3.	2.44	2	0	alkane; gas molecular entity	food propellant
vinyl chloride Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group.	1.99	1	0	chloroethenes; gas molecular entity; monohaloethene	carcinogenic agent
ethylamine ethylamine : A two-carbon primary aliphatic amine.	2.1	1	0	primary aliphatic amine	human metabolite
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	3.64	9	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.	2.48	2	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
carbon disulfide Carbon Disulfide: A colorless, flammable, poisonous liquid, CS2. It is used as a solvent, and is a counterirritant and has local anesthetic properties but is not used as such. It is highly toxic with pronounced CNS, hematologic, and dermatologic effects.	1.95	1	0	one-carbon compound; organosulfur compound
cyclopropane cyclopropane : A cycloalkane composed of three carbon atoms to form a ring.	7.68	3	0	cycloalkane; cyclopropanes	inhalation anaesthetic
ethylene oxide Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.	2.45	2	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
nitromethane nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.	1.96	1	0	primary nitroalkane; volatile organic compound	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent
propylene oxide propylene oxide: structure. 1,2-epoxypropane : An epoxide that is oxirane substituted by a methyl group at position 2.	2.06	1	0	epoxide
tetramethylammonium tetramethylammonium: RN given refers to parent cpd. tetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups.	2.44	2	0	quaternary ammonium ion
bromotrichloromethane Bromotrichloromethane: A potent liver poison. In rats, bromotrichloromethane produces about three times the degree of liver microsomal lipid peroxidation as does carbon tetrachloride.	6.95	1	0
methanesulfonic acid [no description available]	2.37	2	0	alkanesulfonic acid; one-carbon compound	Escherichia coli metabolite
trifluoroethanol Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications.	8.5	8	0	fluoroalcohol
pentachloroethane [no description available]	1.98	1	0	chloroethanes	non-polar solvent
trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.	4.89	37	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
trifluoroacetic acid Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid.	3.25	6	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
triamcinolone acetonide Triamcinolone Acetonide: An esterified form of TRIAMCINOLONE. It is an anti-inflammatory glucocorticoid used topically in the treatment of various skin disorders. Intralesional, intramuscular, and intra-articular injections are also administered under certain conditions.. triamcinolone acetonide : A synthetic glucocorticoid that is the 16,17-acetonide of triamcinolone. Used to treat various skin infections.	2.66	3	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
trityl chloride [no description available]	1.96	1	0
gibberellic acid gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure. gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4.	1.98	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.	8.04	5	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
divinyl sulfone divinyl sulfone: cross-linking reagent for agarose gels. divinyl sulfone : A sulfone compound having two S-vinyl substituents.	4.28	5	0	sulfone	cross-linking reagent
dimethyl sulfate dimethyl sulfate: RN given refers to unlabeled cpd; structure. dimethyl sulfate : The dimethyl ester of sulfuric acid.	2.37	2	0	alkyl sulfate	alkylating agent; immunosuppressive agent
tabun tabun: proposed as military nerve gas and exptl cholinesterase inhibitor; extremely poisonous; structure	7.03	1	0
tromethamine Tromethamine: An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424)	4.35	21	0	primary amino compound; triol	buffer
quinic acid (-)-quinic acid : The (-)-enantiomer of quinic acid.	5.06	14	0
3-mercaptopropionic acid 3-Mercaptopropionic Acid: An inhibitor of glutamate decarboxylase. It decreases the GAMMA-AMINOBUTYRIC ACID concentration in the brain, thereby causing convulsions.. 3-mercaptopropanoic acid : A mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.	3.12	5	0	mercaptopropanoic acid	algal metabolite
triparanol Triparanol: Antilipemic agent with high ophthalmic toxicity. According to Merck Index, 11th ed, the compound was withdrawn from the market in 1962 because of its association with the formation of irreversible cataracts.	2.35	2	0	stilbenoid	anticoronaviral agent
isoprene isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.	1.99	1	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
methylethyl ketone methylethyl ketone: solvent; colorless synthetic resins, smokeless powders; may be irritating to eyes, mucous membranes; may be toxic in high concentrations; structure. butanone : Any ketone that is butane substituted by an oxo group at unspecified position.. butan-2-one : A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2.	1.94	1	0	butanone; dialkyl ketone; methyl ketone; volatile organic compound	bacterial metabolite; polar aprotic solvent
trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups.	2.69	3	0	chloroethenes	inhalation anaesthetic; mouse metabolite
propionamide [no description available]	2	1	0	monocarboxylic acid amide; primary fatty amide
acrylamide [no description available]	10.29	12	1	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
acrylic acid acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.	8.26	6	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
n-methylacetamide N-methylacetamide: RN given refers to parent cpd. N-methylacetamide : A monocarboxylic acid amide that is the N-methyl derivative of acetamide.	2.03	1	0	acetamides; monocarboxylic acid amide	metabolite
peracetic acid Peracetic Acid: A liquid that functions as a strong oxidizing agent. It has an acrid odor and is used as a disinfectant.. peracetic acid : A peroxy acid that is acetic acid in which the OH group is substituted by a hydroperoxy group. It is a versatile oxidising agent that is used as a disinfectant.	2	1	0	a peroxy acid	disinfectant; oxidising agent
methacrylamide [no description available]	2.03	1	0	acrylamides; primary carboxamide
dichloroacetic acid [no description available]	7.4	2	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
pantothenic acid Pantothenic Acid: A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.. pantothenic acid : A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.. vitamin B5 : Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms.. (R)-pantothenate : A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.. (R)-pantothenic acid : A pantothenic acid having R-configuration.	8.05	5	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	2.01	1	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
methylmethacrylate Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component.	2.08	1	0	enoate ester; methyl ester	allergen; polymerisation monomer
taurocholic acid Taurocholic Acid: The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.. taurocholate : An organosulfonate oxoanion that is the conjugate base of taurocholic acid.. taurocholic acid : A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals.	2.88	4	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
rhodamine b rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome.	2.57	2	0	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
pyridoxic acid Pyridoxic Acid: The catabolic product of most of VITAMIN B 6; (PYRIDOXINE; PYRIDOXAL; and PYRIDOXAMINE) which is excreted in the urine.. 4-pyridoxic acid : A methylpyridine that is 2-methylpyridine substituted by a hydroxy group at C-3, a carboxy group at C-4, and a hydroxymethyl group at C-5. It is the catabolic product of vitamin B6 and is excreted in the urine.. 4-pyridoxate : A pyridoxate that is the conjugate base of 4-pyridoxic acid, obtained by deprotonation of the carboxy group.	1.98	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	human urinary metabolite; mouse metabolite
skatole [no description available]	2.47	2	0	methylindole	human metabolite; mammalian metabolite
methylprednisolone Methylprednisolone: A PREDNISOLONE derivative with similar anti-inflammatory action.. 6alpha-methylprednisolone : The 6alpha-stereoisomer of 6-methylprednisolone.	2.35	2	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
vitamin k5 vitamin k5: RN given refers to parent cpd	2.41	1	0	naphthols
rotenone Derris: A plant genus of the family FABACEAE. The root is a source of rotenoids (ROTENONE) and flavonoids. Some species of Pongamia have been reclassified to this genus and some to MILLETTIA. Some species of Deguelia have been reclassified to this genus.. rotenoid : Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds.	3.04	1	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
2-methylanthraquinone 2-methylanthraquinone: form Morinda officinalis How.. 2-methylanthraquinone : An anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group.	2.08	1	0	anthraquinone
1-naphthylamine-5-sulfonic acid 1-naphthylamine-5-sulfonic acid: fluorophore used for fluorescent nucleotide substrates	2.02	1	0	naphthalenesulfonic acid
diquat Diquat: A contact herbicide used also to produce desiccation and defoliation. (From Merck Index, 11th ed). diquat : The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide.	2.6	1	0	organic cation	defoliant; herbicide
phthalimide phthalimide: RN given refers to parent cpd. phthalimide : A dicarboximide that is 2,3-dihydro-1H-isoindole substituted by oxo groups at positions 1 and 3.	7.17	1	0	phthalimides
brompheniramine Brompheniramine: Histamine H1 antagonist used in treatment of allergies, rhinitis, and urticaria.. brompheniramine : Pheniramine in which the hydrogen at position 4 of the phenyl substituent is substituted by bromine. A histamine H1 receptor antagonist, brompheniramine is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.	2.47	2	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
1-hydroxy-2-naphthoic acid 1-hydroxy-2-naphthoic acid: RN given refers to parent cpd. 1-hydroxy-2-naphthoic acid : A naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms.	2	1	0	hydroxy monocarboxylic acid; naphthoic acid; naphthols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite
carbazole carbazole: structure in first source	2.31	1	0	carbazole
penicillin v Penicillin V: A broad-spectrum penicillin antibiotic used orally in the treatment of mild to moderate infections by susceptible gram-positive organisms.. phenoxymethylpenicillin : A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain.	2.1	1	0	penicillin allergen; penicillin
gramine gramine : An aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3.	2.03	1	0	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist
penicillanic acid Penicillanic Acid: A building block of penicillin, devoid of significant antibacterial activity. (From Merck Index, 11th ed). penicillanic acid : A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration.	1.95	1	0	penicillanic acids
2,4,6-trichlorophenol [no description available]	7	1	0	trichlorophenol	carcinogenic agent
n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source	4.31	6	0	pyrrolidin-2-ones
thymol Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene.	3.44	2	0	monoterpenoid; phenols	volatile oil component
1-naphthol 1-naphthol: RN given refers to parent cpd. 1-naphthol : A naphthol carrying a hydroxy group at position 1.. hydroxynaphthalene : Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups.	2.15	1	0	naphthol	genotoxin; human xenobiotic metabolite
1-naphthylphenylamine N-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structure	2	1	0	naphthalenes
aminacrine Aminacrine: A highly fluorescent anti-infective dye used clinically as a topical antiseptic and experimentally as a mutagen, due to its interaction with DNA. It is also used as an intracellular pH indicator.. 9-aminoacridine : An aminoacridine that is acridine in which the hydrogen at position 9 is replaced by an amino group. A fluorescent dyd and topical antiseptic agent, it is used (usually as the hydrochloride salt) in eye drops for the treatment of superficial eye infections.	1.95	1	0	aminoacridines; primary amino compound	acid-base indicator; antiinfective agent; antiseptic drug; fluorescent dye; MALDI matrix material; mutagen
xanthone xanthone : The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9.	7.01	1	0	xanthones	insecticide
veratrole veratrole: structure. dimethoxybenzene : Any methoxybenzene that consists of a benzene skeleton substituted with two methoxy groups and its derivatives.. veratrole : A dimethoxybenzene with the methoxy groups at ortho-positions.	2.44	2	0	dimethoxybenzene	plant metabolite
quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.	4.95	4	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
1,2,3,4-tetrahydroisoquinoline 1,2,3,4-tetrahydroisoquinoline: RN given refers to cpd with locants as specified	2.43	2	0	isoquinolines
isatin tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;	1.97	1	0	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
2-naphthylamine 2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.	3.08	5	0	naphthylamine	carcinogenic agent
tolonium chloride Tolonium Chloride: A phenothiazine that has been used as a hemostatic, a biological stain, and a dye for wool and silk. Tolonium chloride has also been used as a diagnostic aid for oral and gastric neoplasms and in the identification of the parathyroid gland in thyroid surgery.. tolonium chloride : An organic chloride salt having 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium (tolonium) as the counterion. It is a blue nuclear counterstain that can be used to demonstrate Nissl substance and is also useful for staining mast cell granules, both in metachromatic and orthochromatic techniques.	2.38	2	0
pyronine Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.. pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method.	2.04	1	0	iminium salt; organic chloride salt	histological dye
phenylpiperazine phenylpiperazine: RN given refers to parent cpd	2.1	1	0
proflavine Proflavine: Topical antiseptic used mainly in wound dressings.. 3,6-diaminoacridine : An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds.	2.86	4	0	aminoacridines	antibacterial agent; antiseptic drug; carcinogenic agent; chromophore; intercalator
xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.	4.46	7	0	xanthene
veratryl alcohol (3,4-dimethoxyphenyl)methanol : A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 3 and 4 of the phenyl group are substituted by methoxy groups.	1.99	1	0	benzyl alcohols; dimethoxybenzene; primary alcohol	fungal metabolite
2-naphthoic acid 2-naphthoic acid: RN given refers to parent cpd. 2-naphthoic acid : A naphthoic acid that is naphthalene carrying a carboxy group at position 2.	2.1	1	0	naphthoic acid	mouse metabolite; xenobiotic metabolite
1-phenylpropanol 1-phenylpropanol: structure in first source	2.78	3	0	organic molecular entity
styrene glycol styrene glycol: RN given refers to cpd without isomeric designation	2.08	1	0	benzenes
mecoprop mecoprop: RN given refers to cpd without isomeric designation; structure. 2-(4-chloro-2-methylphenoxy)propanoic acid : A monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group.. mecoprop : A racemate comprising equimolar amounts of (R)- and (S)-mecoprop.	2.1	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
synephrine [no description available]	2.39	2	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
propylparaben Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872)	4.61	8	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
benzoyl peroxide Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry.	6.99	1	0	carbonyl compound
benzothiazole benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.	2.69	2	0	benzothiazoles	environmental contaminant; plant metabolite; xenobiotic
2-xylene 2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2.	1.98	1	0	xylene
styrene oxide styrene oxide: structure. styrene oxide : An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group.	2.08	1	0	epoxide	human xenobiotic metabolite
4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.	2.44	2	0	butan-4-olide	metabolite; neurotoxin
soman Soman: An organophosphorus compound that inhibits cholinesterase. It causes seizures and has been used as a chemical warfare agent.	2.42	2	0	phosphonic ester
ethylene dimethacrylate ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol.	2.44	2	0	enoate ester	allergen; cross-linking reagent; polymerisation monomer
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.	2.46	2	0	aldehyde; furans	Maillard reaction product; metabolite
benzenesulfonyl chloride benzenesulfonyl chloride: structure	2.01	1	0
pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration.	3.73	10	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
methylphenyl carbinol 1-phenylethanol : An aromatic alcohol that is ethanol substituted by a phenyl group at position 1.. methylbenzyl alcohol : Members of the class of benzyl alcohols substituted by at least one methyl group.	2.8	3	0	aromatic alcohol	mouse metabolite
acetophenone acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.	7.81	3	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.	2.46	2	0	nitroarene; nitrobenzenes
alpha-resorcylic acid alpha-resorcylic acid: RN given refers to parent cpd. 3,5-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 5.	7.1	1	0	dihydroxybenzoic acid; resorcinols	metabolite
trehalose alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon.	3.27	6	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methylparaben methylparaben: used as a preservative in cosmetics but potentiates UV-induced damage of skin; RN given refers to parent cpd. methylparaben : A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries.	2.1	1	0	paraben	antifungal agent; antimicrobial food preservative; neuroprotective agent; plant metabolite
2-diethylaminoethanol 2-diethylaminoethanol: RN given refers to unlabeled parent cpd. 2-diethylaminoethanol : A member of the class of ethanolamines that is aminoethanol in which the hydrogens of the amino group are replaced by ethyl groups.	1.93	1	0	ethanolamines; primary alcohol; tertiary amino compound
benzyl bromide benzyl bromide: structure given in first source. benzyl bromide : A member of the class of benzyl bromides that is toluene substituted on the alpha-carbon with bromine.	2.01	1	0	benzyl bromides	lachrymator
ethylbenzene [no description available]	2.44	2	0	alkylbenzene
styrene Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.	4.17	15	0	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
benzylamine aminotoluene : Any member of the class of toluenes carrying one or more amino groups.	2.95	4	0	aralkylamine; primary amine	allergen; EC 3.5.5.1 (nitrilase) inhibitor; plant metabolite
phenylhydrazine [no description available]	1.94	1	0	phenylhydrazines	xenobiotic
anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group.	1.99	1	0	monomethoxybenzene	plant metabolite
methylphenylsulfide thioanisole : An aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group.	2.4	2	0	aryl sulfide; benzenes
2-vinylpyridine [no description available]	1.99	1	0
quinuclidines Quinuclidines: A class of organic compounds which contain two rings that share a pair of bridgehead carbon atoms and contains an amine group.	3.25	1	0	quinuclidines; saturated organic heterobicyclic parent
cyclamic acid Cyclamates: Salts and esters of cyclamic acid.. cyclohexylsulfamic acid : A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent.	2.65	3	0	sulfamic acids	environmental contaminant; human xenobiotic metabolite
methyl phenylacetate [no description available]	2.08	1	0	benzenes
ethyl phenylacetate [no description available]	2.66	2	0	benzenes
boric acid [no description available]	2.69	3	0	boric acids	astringent
1,2-dihydrostilbene 1,2-dihydrostilbene: intermdiate in biosynthesis of dihydrophenanthrenes from phenylalanine. 1,2-dihydrostilbene : A diphenylethane that is the 1,2-dihydro derivative of stilbene.	1.96	1	0	diphenylethane
2-phenylethyl acetate phenethyl acetate : The acetate ester of 2-phenylethanol.	4.44	6	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
phenylisothiocyanate phenylisothiocyanate: structure. phenyl isothiocyanate : An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation.	2.66	3	0	isothiocyanate	allergen; reagent
caprolactam Caprolactam: Cyclic amide of caproic acid used in manufacture of synthetic fibers of the polyamide type. Can cause local irritation.. epsilon-caprolactam : A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.	2.02	1	0	caprolactams	human blood serum metabolite
4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4.	2.01	1	0	xylene
2,5-dioxopiperazine piperazine-2,5-dione : A cyclic peptide that is piperazine in which the hydrogens at positions 2 and 5 are replaced by oxo groups.	2.15	1	0	2,5-diketopiperazines; cyclic peptide
dimethyl succinate dimethyl succinate: potent insulin secretagogue	1.99	1	0	fatty acid methyl ester
epichlorohydrin Epichlorohydrin: A chlorinated epoxy compound used as an industrial solvent. It is a strong skin irritant and carcinogen.. epichlorohydrin : An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine.	2.02	1	0	epoxide; organochlorine compound
glycidyl methacrylate glycidyl methacrylate: RN given refers to monomer. glycidyl methacrylate : An enoate ester obtained by formal condensation of the carboxy group of methacrylic acid with the hydroxy group of glycidol.	2.44	2	0	enoate ester; epoxide
ethylene dibromide Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae.	1.99	1	0	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
butane butane : A straight chain alkane composed of 4 carbon atoms.	2.47	2	0	alkane; gas molecular entity	food propellant; refrigerant
1,3-butadiene buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3.	2.5	2	0	butadiene	carcinogenic agent; mutagen
acrylonitrile [no description available]	1.95	1	0	aliphatic nitrile; volatile organic compound	antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent
propargyl alcohol propargyl alcohol: irreversibly inactivates alcohol oxidase; RN given refers to parent cpd. prop-2-yn-1-ol : A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1.	2.21	1	0	propynol; terminal acetylenic compound; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite
glyoxal [no description available]	2.9	4	0	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	2.71	3	0	alkane
deanol Deanol: An antidepressive agent that has also been used in the treatment of movement disorders. The mechanism of action is not well understood.. N,N-dimethylethanolamine : A tertiary amine that is ethanolamine having two N-methyl substituents.	2.1	1	0	ethanolamines; tertiary amine	curing agent; radical scavenger
acetic anhydride acetic anhydride: RN given refers to unlabeled cpd; structure. acetic anhydride : An acyclic carboxylic anhydride derived from acetic acid.	1.97	1	0	acyclic carboxylic anhydride	metabolite; reagent
maleic anhydride Maleic Anhydrides: Used in copolymerization reactions, in the Diels-Alder(diene)synthesis, in the preparation of resins, pharmaceuticals and agricultural chemicals. It is a powerful irritant and causes burns.. maleic anhydride : A cyclic dicarboxylic anhydride that is the cyclic anhydride of maleic acid.	2.53	2	0	cyclic dicarboxylic anhydride; furans	allergen
melamine melamine: RN given refers to parent cpd; structure. melamine : A trimer of cyanamide, with a 1,3,5-triazine skeleton.	2.05	1	0	triamino-1,3,5-triazine	xenobiotic metabolite
bromobenzene [no description available]	1.98	1	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
cyclohexanol Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton.	2.69	3	0	cyclohexanols; secondary alcohol	solvent
4-methylmorpholine [no description available]	2.1	1	0
dibutyl sebacate dibutyl sebacate: used in retail packaging of foods	2.42	2	0	fatty acid ester
n-butylamine n-butylamine: RN given refers to parent cpd. butan-1-amine : A primary aliphatic amine that is butane substituted by an amino group at position 1.	2.1	1	0	primary aliphatic amine
n-methylaminoethanol N-methylaminoethanol: structure. N-methylethanolamine : An ethanolamine compound having an N-methyl substituent.	2.92	1	0	ethanolamines
diethylamine [no description available]	2.11	1	0	secondary aliphatic amine
vinyl ether vinyl ether: major descriptor (65-85); on-line search VINYL COMPOUNDS (66-85); Index Medicus search VINYL ETHER (65-85)	2.07	1	0	ether
pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.	5.72	27	0	pyrrole; secondary amine
tetrahydrofuran oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.	2.41	2	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
furan furan : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid.	2.1	1	0	furans; mancude organic heteromonocyclic parent; monocyclic heteroarene	carcinogenic agent; hepatotoxic agent; Maillard reaction product
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	15.37	330	6	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
n,n,n',n'-tetramethylethylenediamine N,N,N',N'-tetramethylethylenediamine: RN given refers to parent cpd; structure. N,N,N',N'-tetramethylethylenediamine : An ethylenediamine derivative in which each nitrogen carries two methyl substituents. It is widely employed both as a ligand for metal ions and as a catalyst in organic polymerisation.	2.06	1	0	ethylenediamine derivative	catalyst; chelator
n,n'-methylenebisacrylamide [no description available]	2.01	1	0
n-hexane hexane : An unbranched alkane containing six carbon atoms.	2.06	1	0	alkane; volatile organic compound	neurotoxin; non-polar solvent
1,4-butanediol butane-1,4-diol : A butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16degreeC) with a high boiling point (230degreeC), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF).	2.43	2	0	butanediol; glycol	neurotoxin; prodrug; protic solvent
cyclohexane Cyclohexane: C6H12. cyclohexane : An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.	7.46	2	0	cycloalkane; volatile organic compound	non-polar solvent
cyclohexene cyclohexene : A cycloalkene that is cylohexane with a single double bond.	2.06	1	0	cycloalkene
piperidine [no description available]	2.1	1	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
morpholine [no description available]	2.1	1	0	morpholines; saturated organic heteromonocyclic parent	NMR chemical shift reference compound
1-hexanol 1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1.	2.66	3	0	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite
diethanolamine diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.	1.96	1	0	ethanolamines	human xenobiotic metabolite
diethylene glycol glycol ether : A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics.	1.97	1	0	hydroxyether
hexahydroazepine hexahydroazepine: RN given refers to parent cpd. azepane : An azacycloalkane that is cycloheptane in which one of the carbon atoms is replaced by a nitrogen atom.	2.1	1	0	azacycloalkane; azepanes; saturated organic heteromonocyclic parent
heptanol Heptanol: A colorless liquid with a fragrant odor. It is used as an intermediate, solvent and in cosmetics.. heptanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of seven carbon atoms.. heptan-1-ol : A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum.	2.21	1	0	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite
octadecyltrichlorosilane [no description available]	2.07	1	0
undecanoic acid undecanoic acid : A straight-chain, eleven-carbon saturated medium-chain fatty acid found in body fluids; the most fungitoxic of the C7:0 - C18:0 fatty acid series.. undecanoate : A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3.	2.01	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antifungal agent; human metabolite
glycofurol [no description available]	2.15	1	0	poly(ethylene glycol)
ergotamine Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS.. ergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.	4.66	9	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
phenformin Phenformin: A biguanide hypoglycemic agent with actions and uses similar to those of METFORMIN. Although it is generally considered to be associated with an unacceptably high incidence of lactic acidosis, often fatal, it is still available in some countries. (From Martindale, The Extra Pharmacopoeia, 30th ed, p290). phenformin : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a 2-phenylethyl group. It was used as an anti-diabetic drug but was later withdrawn from the market due to potential risk of lactic acidosis.	1.94	1	0	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent
propylene propylene: structure	2.05	1	0	alkene; gas molecular entity	refrigerant; xenobiotic
triphenyl phosphate triphenyl phosphate: structure. triphenyl phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol.	1.96	1	0	aryl phosphate	flame retardant; plasticiser
diethylhexyl phthalate Diethylhexyl Phthalate: An ester of phthalic acid. It appears as a light-colored, odorless liquid and is used as a plasticizer for many resins and elastomers.. bis(2-ethylhexyl) phthalate : A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid.	2.46	2	0	diester; phthalate ester	androstane receptor agonist; apoptosis inhibitor; plasticiser
benzyl salicylate benzyl salicylate: structure given in Merck	2.1	1	0	benzoate ester; phenols
framycetin Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.	6.56	26	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
benzoin [no description available]	1.99	1	0	benzoins; secondary alpha-hydroxy ketone	EC 3.1.1.1 (carboxylesterase) inhibitor
isoquinoline [no description available]	2.13	1	0	azaarene; isoquinolines; mancude organic heterobicyclic parent; ortho-fused heteroarene
anthracene acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives.	2.44	2	0	acene; anthracenes; ortho-fused tricyclic hydrocarbon
dimethoxyphenylethylamine Dimethoxyphenylethylamine: A derivative of phenethylamine containing two substituent methoxy groups in the phenyl ring.. 3,4-dimethoxyphenylethylamine : An aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family.	3.04	1	0	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite
2-naphthoxyacetic acid 2-naphthoxyacetic acid: used as plant hormone to promote the growth of roots on clippings, to prevent fruit from falling prematurely; structure	1.98	1	0	naphthyloxyacetic acid
tropine [no description available]	7.11	1	0
n-methylpyrrolidine N-methylpyrrolidine: RN given refers to parent cpd	2.1	1	0
triethylamine [no description available]	2.78	3	0	tertiary amine
sulfan blue sulfan blue: widely used to visualize lymph vessels for lymphography; structure	2.17	1	0	organic molecular entity
iodoantipyrine [no description available]	1.97	1	0
meglumine Meglumine: 1-Deoxy-1-(methylamino)-D-glucitol. A derivative of sorbitol in which the hydroxyl group in position 1 is replaced by a methylamino group. Often used in conjunction with iodinated organic compounds as contrast medium.. N-methylglucamine : A hexosamine that is D-glucitol in which the hydroxy group at position 1 is substituted by the nitrogen of a methylamino group. A crystalline base, it is used in preparing salts of certain acids for use as diagnostic radiopaque media, while its antimonate is used as an antiprotozoal in the treatment of leishmaniasis.	4.97	12	0	hexosamine; secondary amino compound
chloroprocaine chloroprocaine: RN given refers to parent cpd; structure. chloroprocaine : Procaine in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine. It is used as its monohydrochloride salt as a local anaesthetic, particularly for oral surgery. It has the advantage over lidocaine of constricting blood vessels, so reducing bleeding.	2.1	1	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
uridine diphosphate glucose Uridine Diphosphate Glucose: A key intermediate in carbohydrate metabolism. Serves as a precursor of glycogen, can be metabolized into UDPgalactose and UDPglucuronic acid which can then be incorporated into polysaccharides as galactose and glucuronic acid. Also serves as a precursor of sucrose lipopolysaccharides, and glycosphingolipids.. UDP-alpha-D-glucose : The alpha-anomer of UDP-alpha-D-glucose. It is used in nucleotide sugars metabolism.	2.68	3	0	UDP-D-glucose	fundamental metabolite
1-naphthylamine 1-Naphthylamine: A suspected industrial carcinogen (and listed as such by OSHA). Its N-hydroxy metabolite is strongly carcinogenic and mutagenic.. naphthylamine : A primary arylamine that is naphthalene substituted by an amino group at unspecified position.. 1-naphthylamine : A naphthylamine that is naphthalene substituted by an amino group at position 1.	2	1	0	naphthylamine	human xenobiotic metabolite
2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.	3.76	11	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
neozone N-phenyl-2-naphthalenamine: structure in first source	2.03	1	0	naphthalenes
dextrothyroxine Dextrothyroxine: The dextrorotary isomer of the synthetic THYROXINE.. D-thyroxine : The D-enantiomer of thyroxine.	2.01	1	0	D-tyrosine derivative; thyroxine
shikimic acid Shikimic Acid: A tri-hydroxy cyclohexene carboxylic acid important in biosynthesis of so many compounds that the shikimate pathway is named after it.. shikimic acid : A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms.	8.4	95	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
nitrilotriacetic acid Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.)	2.01	1	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
benzyl cyanide benzyl cyanide: reversible monoamine oxidase inhibitor	3.18	5	0	benzenes; nitrile	animal metabolite; pheromone
aminoethylpiperazine aminoethylpiperazine: RN given refers to parent cpd with specified locant	4.19	16	0
estragole estragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group.	2	1	0	alkenylbenzene; monomethoxybenzene; phenylpropanoid	carcinogenic agent; flavouring agent; genotoxin; insect attractant; plant metabolite
citronellol citronellol: alcohol form of citronellal; found in rose oil; RN given refers to parent cpd without isomeric designation; structure. citronellol : A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.. insect repellent : An insecticide that acts as a repellent to insects.	2.05	1	0	monoterpenoid	plant metabolite
n-butyl acrylate butyl acrylate : An acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid.	2.02	1	0	acrylate ester
ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol.	2.45	2	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
ethyl acetoacetate ethyl acetoacetate: RN given refers to unlabeled parent cpd. ethyl acetoacetate : An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol.	2.37	2	0	ethyl ester	antibacterial agent; flavouring agent; plant metabolite
2-hydroxypyridine hydroxypyridine : Any member of the class of pyridines with at least one hydroxy substituent.. pyridin-2-ol : A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2.	2.41	1	0	monohydroxypyridine	plant metabolite
hexanoic acid hexanoic acid : A C6, straight-chain saturated fatty acid.	1.98	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
cupric acetate [no description available]	2.48	2	0
iminodiacetic acid iminodiacetic acid: used as hepatobiliary imaging agent when labeled with Tc; RN given refers to parent cpd; structure. iminodiacetic acid : An amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group.	2.03	1	0	amino dicarboxylic acid; glycine derivative; non-proteinogenic alpha-amino acid	chelator
n-heptane Heptanes: Seven-carbon alkanes with the formula C7H16.. heptane : A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi).	2.69	3	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
sodium cyanide Sodium Cyanide: A highly poisonous compound that is an inhibitor of many metabolic processes and is used as a test reagent for the function of chemoreceptors. It is also used in many industrial processes.. sodium cyanide : A cyanide salt containing equal numbers of sodium cations and cyanide anions.	1.98	1	0	cyanide salt; one-carbon compound; sodium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor
tetraphenylborate Tetraphenylborate: An anionic compound that is used as a reagent for determination of potassium, ammonium, rubidium, and cesium ions. It also uncouples oxidative phosphorylation and forms complexes with biological materials, and is used in biological assays.	1.96	1	0
pregnenolone [no description available]	1.94	1	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
yohimbine Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.	2.67	3	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
3-o-methylglucose 3-O-Methylglucose: A non-metabolizable glucose analogue that is not phosphorylated by hexokinase. 3-O-Methylglucose is used as a marker to assess glucose transport by evaluating its uptake within various cells and organ systems. (J Neurochem 1993;60(4):1498-504). 3-O-methyl-D-glucose : A D-aldohexose that is D-glucose in which the hydrogen of the hydroxy group at position 3 has been substituted by a methyl group. It is a non-metabolisable glucose analogue that is not phosphorylated by hexokinase and is used as a marker to assess glucose transport by evaluating its uptake within various cells and organ systems.	3.37	7	0	D-aldohexose derivative
diphenhydramine hydrochloride Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.	1.94	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
ditiocarb Ditiocarb: A chelating agent that has been used to mobilize toxic metals from the tissues of humans and experimental animals. It is the main metabolite of DISULFIRAM.. diethyldithiocarbamic acid : A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur.	1.95	1	0	dithiocarbamic acids	chelator; copper chelator
2-vanillin ortho-vanillin : A member of the class of benzaldehydes that is salicylaldehyde substituted by a methoxy group at position 3.	2.06	1	0	benzaldehydes; guaiacols	antimutagen; plant metabolite
dulcin dulcin: structure	2	1	0	ureas
potassium cyanide [no description available]	2.38	2	0	cyanide salt; one-carbon compound; potassium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin
aziridine [no description available]	2.47	2	0	azacycloalkane; aziridines; saturated organic heteromonocyclic parent	alkylating agent
D-tryptophan [no description available]	5.46	19	0	D-alpha-amino acid; tryptophan zwitterion; tryptophan	bacterial metabolite
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	6.22	12	1	catechin	antioxidant; plant metabolite
thiamine pyrophosphate Thiamine Pyrophosphate: The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.. thiamine(1+) diphosphate chloride : An organic chloride salt of thiamine(1+) diphosphate.	3.08	5	0	organic chloride salt; vitamin B1
homoarginine L-homoarginine : An L-lysine derivative that is the L-enantiomer of homoarginine.	6.86	37	2	homoarginine; L-lysine derivative; non-proteinogenic L-alpha-amino acid	biomarker; EC 3.1.3.1 (alkaline phosphatase) inhibitor; human metabolite; rat metabolite; xenobiotic metabolite
3-amino-1-propanol 3-aminopropan-1-ol : A member of the class of propanolamines that is propane with a hydroxy substituent at C-1 and an amino substituent at C-2, making it both a primary amine and a primary alcohol.	2.92	1	0	primary alcohol; primary amine; propanolamine
diazooxonorleucine Diazooxonorleucine: An amino acid that inhibits phosphate-activated glutaminase and interferes with glutamine metabolism. It is an antineoplastic antibiotic produced by an unidentified species of Streptomyces from Peruvian soil. (From Merck Index, 11th ed). 6-diazo-5-oxo-L-norleucine : A non-proteinogenic L-alpha-amino acid that is L-norleucine which is substituted at position 5 by an oxo group and at position 6 by a diazo group. It is as inhibitor of various glutamine-utilising enzymes.	1.96	1	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
perylene Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings.	7.48	2	0	ortho- and peri-fused polycyclic arene; perylenes
fluoranthene fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring.	2.17	1	0	ortho- and peri-fused polycyclic arene
triphenylene triphenylene: structure. triphenylene : An ortho-fused polycyclic arene consisting of four fused benzene rings.	2.02	1	0	ortho-fused polycyclic arene
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	6.16	17	2	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
acridines Acridines: Compounds that include the structure of acridine.. acridine : A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.	4.89	37	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.	3.25	5	0	indazole
benzofuran benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.	2.1	1	0	1-benzofurans; benzofuran
benzoxazoles 1,3-benzoxazole : A benzoxazole in which the benzene ring is fused to a 1,3-oxazole ring across positions 4 and 5.. benzoxazole : Compounds based on a fused 1,2- or 1,3-oxazole and benzene bicyclic ring skeleton.	3.13	5	0	1,3-benzoxazoles; mancude organic heterobicyclic parent
triethylenediamine triethylenediamine: RN given refers to parent cpd. triethylenediamine : An organic heterobicylic compound that is piperazine with an ethane-1,2-diyl group forming a bridge between N1 and N4. It is typically used as a catalyst in polymerization reactions.	2.45	2	0	bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound	antioxidant; catalyst; reagent
adamantane Adamantane: A tricyclo bridged hydrocarbon.	5.69	10	2	adamantanes; polycyclic alkane
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	9.83	33	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	11.04	48	3	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	9.67	26	2	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	9.74	50	2	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
1,2,4-triazole 1,2,4-triazole: RN given refers to 1H-1,2,4-triazole	2.48	2	0	1,2,4-triazole
pyrimidine pyrimidine : The parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions.	8.78	3	0	diazine; pyrimidines	Daphnia magna metabolite
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	9.16	19	3	diazine; pyrazines	Daphnia magna metabolite
nitroblue tetrazolium Nitroblue Tetrazolium: Colorless to yellow dye that is reducible to blue or black formazan crystals by certain cells; formerly used to distinguish between nonbacterial and bacterial diseases, the latter causing neutrophils to reduce the dye; used to confirm diagnosis of chronic granulomatous disease.	2.71	3	0	organic cation
triphenyltetrazolium triphenyltetrazolium: RN given refers to parent cpd. 2,3,5-triphenyltetrazolium : An organic cation that is tetrazole carrying three phenyl substituents at positions 2, 3 and 5.	2.06	1	0	organic cation
calcium gluconate [no description available]	3.17	1	0	calcium salt	nutraceutical
ephedrine Ephedrine: A phenethylamine found in EPHEDRA SINICA. PSEUDOEPHEDRINE is an isomer. It is an alpha- and beta-adrenergic agonist that may also enhance release of norepinephrine. It has been used for asthma, heart failure, rhinitis, and urinary incontinence, and for its central nervous system stimulatory effects in the treatment of narcolepsy and depression. It has become less extensively used with the advent of more selective agonists.. (-)-ephedrine : A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively.	3.36	7	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
diiodotyrosine Diiodotyrosine: A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE).. diiodotyrosine : A dihalogenated L-tyrosine which has two iodo-substituents on the benzyl moiety.. 3,5-diiodo-L-tyrosine : A diiodotyrosine that is L-tyrosine carrying iodo-substituents at positions C-3 and C-5 of the benzyl group. It is an intermediate in the thyroid hormone synthesis.	8.65	10	0	diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite
3-methoxytyrosine 3-O-methyldopa : A L-tyrosine derivative that is the 3-methoxy derivative of L-dopa.	2	1	0	aromatic L-alpha-amino acid zwitterion; L-tyrosine derivative; monomethoxybenzene; non-proteinogenic L-alpha-amino acid	human metabolite
allylbenzene [no description available]	2.1	1	0
hydrazine diamine : Any polyamine that contains two amino groups.	5.19	50	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
benactyzine Benactyzine: A centrally acting muscarinic antagonist. Benactyzine has been used in the treatment of depression and is used in research to investigate the role of cholinergic systems on behavior.	2.35	2	0	diarylmethane
4-hydroxyphenyllactic acid 4-hydroxyphenyllactic acid: tyrosing metabolite; RN given refers to cpd without isomeric designation. 3-(4-hydroxyphenyl)lactic acid : A 2-hydroxy carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.	2.92	4	0	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite
paraoxon [no description available]	2.4	2	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
hemicholinium 3 Hemicholinium 3: A potent inhibitor of the high affinity uptake system for CHOLINE. It has less effect on the low affinity uptake system. Since choline is one of the components of ACETYLCHOLINE, treatment with hemicholinium can deplete acetylcholine from cholinergic terminals. Hemicholinium 3 is commonly used as a research tool in animal and in vitro experiments.	2.35	2	0
evans blue Evans Blue: An azo dye used in blood volume and cardiac output measurement by the dye dilution method. It is very soluble, strongly bound to plasma albumin, and disappears very slowly.. Evans blue : An organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence.	2.47	2	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
monocrotaline Monocrotaline: A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment.	7.1	1	0	pyrrolizidine alkaloid
dibenzepin dibenzepin: was heading 1975-94 (see under DIBENZAZEPINES 1975-90); use DIBENZAZEPINES to search DIBENZEPIN 1975-94; tricyclic antidepressant similar in action to imipramine	2.1	1	0	dibenzodiazepine
5-fluorouridine [no description available]	1.95	1	0	organofluorine compound; uridines	mutagen
aminophylline Aminophylline: A drug combination that contains THEOPHYLLINE and ethylenediamine. It is more soluble in water than theophylline but has similar pharmacologic actions. It's most common use is in bronchial asthma, but it has been investigated for several other applications.. aminophylline : A mixture comprising of theophylline and ethylenediamine in a 2:1 ratio.	2.35	2	0	mixture	bronchodilator agent; cardiotonic drug
2-fluorophenylalanine 2-fluorophenylalanine: p-fluorophenylalanine is a minor descriptor; RN given refers to cpd with unspecified isomeric designation. 2-fluoro-DL-phenylalanine : A racemate comprising equimolar amounts of 2-fluoro-L-phenylalanine and 2-fluoro-D-phenylalanine.. 2-fluorophenylalanine : A phenylalanine derivative in which the hydrogen at position 2 on the benzene ring is replaced by a fluoro group.	3.87	12	0	monofluorobenzenes; non-proteinogenic alpha-amino acid; phenylalanine derivative
flurothyl Flurothyl: A convulsant primarily used in experimental animals. It was formerly used to induce convulsions as a alternative to electroshock therapy.	1.97	1	0	ether
diazomethane Diazomethane: A diazonium compound with the formula CH2N2.. diazomethane : The simplest diazo compound, in which a diazo group is attached to a methylene group.	3.47	8	0	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison
carbutamide Carbutamide: A sulfonylurea antidiabetic agent with similar actions and uses to CHLORPROPAMIDE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p277)	1.99	1	0	benzenes; sulfonamide
5-fluorotryptophan 5-fluorotryptophan: RN given refers to cpd with unspecified isomeric designation. 5-fluorotryptophan : A non-proteinogenic alpha-amino acid that is tryptophan in which the hydrogen at position 5 on the indole ring is replaced by a fluoro group.	2.38	2	0	non-proteinogenic alpha-amino acid; organofluorine compound; tryptophan derivative
fluocinonide Fluocinonide: A topical glucocorticoid used in the treatment of ECZEMA.	2.13	1	0	organic molecular entity
galantamine Galantamine: A benzazepine derived from norbelladine. It is found in GALANTHUS and other AMARYLLIDACEAE. It is a cholinesterase inhibitor that has been used to reverse the muscular effects of GALLAMINE TRIETHIODIDE and TUBOCURARINE and has been studied as a treatment for ALZHEIMER DISEASE and other central nervous system disorders.. galanthamine : A benzazepine alkaloid isolated from certain species of daffodils.	3.11	5	0	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite
aminoimidazole carboxamide Aminoimidazole Carboxamide: An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.. 5-aminoimidazole-4-carboxamide : An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.	1.95	1	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
methysergide Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.	6.09	17	0	ergoline alkaloid
benzenediazonium benzenediazonium: RN given refers to parent cpd. benzenediazonium : The aromatic diazonium ion formed from diazotisation of aniline.	2.03	1	0	aromatic diazonium ion	hapten
cyanoacetic acid cyanoacetic acid: RN given refers to parent cpd; structure. cyanoacetic acid : A monocarboxylic acid that consists of acetic acid bearing a cyano substituent.	2.03	1	0	monocarboxylic acid
citrulline citrulline : The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.	15.37	45	2	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
trifluoroethylamine trifluoroethylamine: RN given refers to cpd with unspecified fluorine locants	2.1	1	0
betamethasone Betamethasone: A glucocorticoid given orally, parenterally, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. Its lack of mineralocorticoid properties makes betamethasone particularly suitable for treating cerebral edema and congenital adrenal hyperplasia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p724)	2.96	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent
prenylamine Prenylamine: A drug formerly used in the treatment of angina pectoris but superseded by less hazardous drugs. Prenylamine depletes myocardial catecholamine stores and has some calcium channel blocking activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1406)	2.63	3	0	diarylmethane
cyanamide Cyanamide: A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism.. cyanamide : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group.	2.68	3	0	nitrile; one-carbon compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
cyproterone acetate [no description available]	3.43	1	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
lithocholic acid Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.. lithocholate : A bile acid anion that is the conjugate base of lithocholic acid.	2.4	2	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
nandrolone Nandrolone: C18 steroid with androgenic and anabolic properties. It is generally prepared from alkyl ethers of ESTRADIOL to resemble TESTOSTERONE but less one carbon at the 19 position.. nandrolone : A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17.	2.36	2	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
2,3,4,5,6-pentafluorobenzyl alcohol 2,3,4,5,6-pentafluorobenzyl alcohol : An organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6.	2.01	1	0	benzyl alcohols; organofluorine compound
2-aminopurine 2-Aminopurine: A purine that is an isomer of ADENINE (6-aminopurine).. aminopurine : Any purine having at least one amino substituent.. 2-aminopurine : The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position.	2.02	1	0	2-aminopurines; nucleobase analogue	antimetabolite
4-fluorobenzoic acid [no description available]	1.98	1	0	fluorobenzoic acid	bacterial xenobiotic metabolite
3-fluorophenylalanine 3-fluorophenylalanine: p-fluorophenylalanine is a minor descriptor; RN given refers cpd with unspecified isomeric designation	4.59	26	0
2-fluoroethylamine 2-fluoroethylamine: structure in first source	2.1	1	0
hydantoins Hydantoins: Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS.. imidazolidine-2,4-dione : An imidazolidinone with oxo groups at position 2 and 4.	8.9	13	0	imidazolidine-2,4-dione
fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group.	3.1	5	0	monofluorobenzenes	NMR chemical shift reference compound
homocystine [no description available]	4.48	4	0	amino acid zwitterion; homocystines	human metabolite
carbonyl sulfide carbonyl sulfide: structure. carbonyl sulfide : A one-carbon compound in which the carbon atom is attached to an oxygen and a sulfur atom via double bonds.	2.02	1	0	one-carbon compound; organosulfur compound
dextropropoxyphene Dextropropoxyphene: A narcotic analgesic structurally related to METHADONE. Only the dextro-isomer has an analgesic effect; the levo-isomer appears to exert an antitussive effect.. propoxyphene : A racemate of the (1R,2R)- and (1S,2R)- diastereoisomers.. dextropropoxyphene : The (1S,2R)-(+)-diastereoisomer of propoxyphene.	2.38	2	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
limestone Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3.	2.48	2	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
chenodeoxycholic acid Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.. chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.. chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3.	1.95	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
glycocholic acid Glycocholic Acid: The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.. glycocholic acid : A bile acid glycine conjugate having cholic acid as the bile acid component.. glycocholate : A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	2.15	1	0	bile acid glycine conjugate	human metabolite
fusarium Fusarium: A mitosporic Hypocreales fungal genus, various species of which are important parasitic pathogens of plants and a variety of vertebrates. Teleomorphs include GIBBERELLA.	4.37	21	0
rhein [no description available]	2.17	1	0	dihydroxyanthraquinone
lucanthone Lucanthone: One of the SCHISTOSOMICIDES, it has been replaced largely by HYCANTHONE and more recently PRAZIQUANTEL. (From Martindale The Extrapharmacopoeia, 30th ed., p46). lucanthone : A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone.	1.94	1	0	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug
cdta CDTA: RN given refers to parent cpd; structure	2.01	1	0	organooxygen compound
phosphoadenosine phosphosulfate Phosphoadenosine Phosphosulfate: 3'-Phosphoadenosine-5'-phosphosulfate. Key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, steroids, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from sulfate ion and ATP in a two-step process. This compound also is an important step in the process of sulfur fixation in plants and microorganisms.. 3'-phospho-5'-adenylyl sulfate : An adenosine bisphosphate having monophosphate groups at the 3'- and 5'-positions and a sulfo group attached to the phosphate at position 5'.	2.02	1	0	acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate	Escherichia coli metabolite; mouse metabolite
dihydroberberine dihydroberberine: structure in first source	2.15	1	0	alkaloid
emetine Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties.	3.65	10	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
naphthol yellow naphthol yellow: RN given refers to parent cpd; structure. flavianic acid : A naphthalenesulfonic acid that is naphthalene-2-sulfonic acid substituted by nitro groups at positions 5 and 7 as well as a hydroxy group at position 8. The disodium salt is the biological stain 'naphthol yellow S'.	2.25	1	0	C-nitro compound; naphthalenesulfonic acid; naphthols	histological dye
ninhydrin Ninhydrin: 2,2-Dihydroxy-1H-indene-1,3-(2H)-dione. Reagent toxic to skin and mucus membranes. It is used in chemical assay for peptide bonds, i.e., protein determinations and has radiosensitizing properties.. ninhydrin : A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2.	1.95	1	0	aromatic ketone; beta-diketone; indanones; ketone hydrate	colour indicator; human metabolite
9-fluorenone fluoren-9-one : The simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9.	2.03	1	0	fluoren-9-ones	fungal xenobiotic metabolite
kainic acid Kainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose.	2.1	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
bufotenin Bufotenin: A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic.. bufotenin : A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5.	2.4	2	0	tertiary amine; tryptamine alkaloid	coral metabolite; hallucinogen
fructose-1,6-diphosphate beta-D-fructofuranose 1,6-bisphosphate : A D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position.	2.41	1	0	D-fructofuranose 1,6-bisphosphate	mouse metabolite
phenylpropanolamine Phenylpropanolamine: A sympathomimetic that acts mainly by causing release of NOREPINEPHRINE but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant.. phenylpropanolamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations.. (-)-norephedrine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid.	2.04	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
methyl red methyl red: RN given refers to parent cpd; structure. methyl red : An azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group.	2.17	1	0
benzohydroxamic acid [no description available]	2.68	3	0
indoline indoline: structure given in first source	2.44	2	0	indoles
sodium carbonate sodium carbonate: used topically for dermatitides, mouthwash, vaginal douche; veterinary use as emergency emetic; RN given refers to carbonic acid, di-Na salt; structure	2.43	2	0	carbonate salt; organic sodium salt
arecaidine [no description available]	2.1	1	0	citraconoyl group
4-hydroxyphenylethanol 4-hydroxyphenylethanol: in chest gland secretion of galagos. 2-(4-hydroxyphenyl)ethanol : A phenol substituted at position 4 by a 2-hydroxyethyl group.	2.43	2	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
phloretic acid phloretic acid: structure. N-hydroxysuccinimide ester : An ester of N-hydroxysuccinimide.. phloretic acid : A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position.	2.38	2	0	hydroxy monocarboxylic acid	plant metabolite
azetidine [no description available]	7.57	2	0	azacycloalkane; azetidines; saturated organic heteromonocyclic parent
alpha-aminopyridine alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.	3.88	11	0
thiazolidines Thiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES.	2.73	3	0	thiazolidine
mustard gas Mustard Gas: Severe irritant and vesicant of skin, eyes, and lungs. It may cause blindness and lethal lung edema and was formerly used as a war gas. The substance has been proposed as a cytostatic and for treatment of psoriasis. It has been listed as a known carcinogen in the Fourth Annual Report on Carcinogens (NTP-85-002, 1985) (Merck, 11th ed).. bis(2-chloroethyl) sulfide : An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention.	1.97	1	0	ethyl sulfide; organochlorine compound	alkylating agent; carcinogenic agent; vesicant
cyanogen bromide Cyanogen Bromide: Cyanogen bromide (CNBr). A compound used in molecular biology to digest some proteins and as a coupling reagent for phosphoroamidate or pyrophosphate internucleotide bonds in DNA duplexes.	4.56	26	0
thioacetic acid ethanethioic S-acid : A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom.	1.99	1	0	thioacetic acid
oleanolic acid [no description available]	2.49	2	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
tetranitromethane [no description available]	2.67	3	0	organonitrogen compound
hematoxylin Hematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink.	2.8	3	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	2.66	3	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
triphenylmethane triphenylmethane : A triarylmethane in which the three aryl groups are phenyl. It forms the basic skeleton of several synthetic dyes.	2.4	2	0	triarylmethane	environmental contaminant; xenobiotic
psilocybin Psilocybin: The major of two hallucinogenic components of Teonanacatl, the sacred mushroom of Mexico, the other component being psilocin. (From Merck Index, 11th ed). psilocybin : A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional phosphoryloxy substituent at position 4. The major hallucinogenic alkaloid isolated from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms").	2.35	2	0	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist
dihydrotestosterone Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.	2.36	2	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
luminol Luminol: 5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations.	7.15	1	0
tryptophol tryptophol : An indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2.	7.41	1	0	indolyl alcohol	auxin; plant metabolite; Saccharomyces cerevisiae metabolite
gluconic acid gluconic acid: zinc gluconate has anti-inflammatory activity; RN given refers to (D)-isomer; all RRs refers to (D)-isomer unless otherwise noted. ketogluconic acid : A gluconic acid that contains a ketonic carbonyl group.. D-gluconic acid : A gluconic acid having D-configuration.	2.99	4	0	gluconic acid	chelator; Penicillium metabolite
copper gluconate Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters.	3.58	9	0	organic molecular entity
azomycin azomycin: RN given refers to parent cpd with specified locant; structure	3.97	3	0	C-nitro compound; imidazoles	antitubercular agent
cellobiose beta-cellobiose : A cellobiose with beta configuration at the reducing-end glucose residue.	2.94	4	0	cellobiose	epitope
tropic acid tropic acid: acid moiety of ester alkaloids hyoscyamine & scopolamine; RN given refers to parent cpd with unspecified isomeric designation; structure. tropic acid : A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group.	3.75	3	0	3-hydroxy monocarboxylic acid	human xenobiotic metabolite
syringic acid syringic acid: RN given refers to parent cpd; structure in third source. syringic acid : A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid.	2.41	1	0	benzoic acids; dimethoxybenzene; phenols	plant metabolite
mandelonitrile, (+-)-isomer [no description available]	2.83	3	0	cyanohydrin
thiamine monophosphate Thiamine Monophosphate: Thiamine dihydrogen phosphate ester. The monophosphate ester of thiamine. Synonyms: monophosphothiamine; vitamin B1 monophosphate.. thiamine(1+) monophosphate chloride : An organic chloride salt of thiamine(1+) monophosphate.	1.97	1	0	organic chloride salt; vitamin B1
4,6-dinitro-o-cresol 4,6-dinitro-o-cresol: RN given refers to parent cpd; structure. 4,6-dinitro-o-cresol : A hydroxytoluene that is o-cresol carrying nitro substituents at positions 4 and 6.	2.25	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
methoxyhydroxyphenylglycol Methoxyhydroxyphenylglycol: Synthesized from endogenous epinephrine and norepinephrine in vivo. It is found in brain, blood, CSF, and urine, where its concentrations are used to measure catecholamine turnover.	3.36	7	0	methoxybenzenes; phenols
3,5-dibromotyrosine 3,5-dibromotyrosine: used to synthesize various secondary metabolites from marine sponges	3.53	2	0	monocarboxylic acid
methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.	3.57	9	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
dicyclohexylcarbodiimide 1,3-dicyclohexylcarbodiimide : A carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms.	2.87	4	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
1,2-dichloroethylene 1,2-dichloroethylene: RN given refers to cpd without isomeric designation	2.02	1	0	chloroethenes
butyramide butanamide : A monocarboxylic acid amide obtained by formal condensation of butanoic acid and ammonia.	2.66	2	0	butanamides; primary fatty amide
3-aminobutyric acid 3-aminobutyric acid: GABA uptake inhibitor. 3-aminobutanoic acid : A beta-amino acid that is butyric acid which is substituted by an amino group at position 3.	2.03	1	0	amino acid zwitterion; beta-amino acid; monocarboxylic acid	metabolite
maleimide [no description available]	2.47	2	0	dicarboximide; maleimides	EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	5.84	12	2	dialdehyde	biomarker
aceturic acid aceturic acid: structure. N-acetylglycine : An N-acylglycine where the acyl group is specified as acetyl.	2.42	2	0	N-acetyl-amino acid; N-acylglycine	human metabolite
1-chlorohexane [no description available]	1.99	1	0
myristic acid Myristic Acid: A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). tetradecanoic acid : A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.. tetradecanoate : A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.	3.43	7	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
n-hexadecane n-hexadecane: structure. hexadecane : A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.	1.97	1	0	long-chain alkane	non-polar solvent; plant metabolite; volatile oil component
triethylenephosphoramide Triethylenephosphoramide: An insect chemosterilant and an antineoplastic agent.	3.05	1	0	phosphoramide
trinitrobenzenesulfonic acid Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.	2.44	2	0	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
eosine yellowish-(ys) Eosine Yellowish-(YS): A versatile red dye used in cosmetics, pharmaceuticals, textiles, etc., and as tissue stain, vital stain, and counterstain with HEMATOXYLIN. It is also used in special culture media.. eosin YS dye : An organic sodium salt that is 2',4',5',7'-tetrabromofluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions.	2.41	1	0	organic sodium salt; organobromine compound	fluorochrome; histological dye
phenalen-1-one phenalen-1-one: fossil fuel combustion product	2.01	1	0
resazurin resazurin: used as indicator in detection of hyposulfite (sulfoxylate); in food research (reductase test); structure	2.02	1	0	phenoxazine
1-naphthylisothiocyanate 1-Naphthylisothiocyanate: A tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function. It may cause skin and kidney damage.	2.37	2	0	isothiocyanate	insecticide
aminopenicillanic acid aminopenicillanic acid: RN given refers to parent cpd; structure. 6-aminopenicillanic acid : A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics.	2.1	1	0	amino acid zwitterion; penicillanic acids	allergen
p-hydroxynorephedrine p-Hydroxynorephedrine: Parahydroxy analog of phenylpropanolamine with properties as a sympathomimetic.	1.95	1	0
hematoporphyrin Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.	1.94	1	0
lithium carbonate Lithium Carbonate: A lithium salt, classified as a mood-stabilizing agent. Lithium ion alters the metabolism of BIOGENIC MONOAMINES in the CENTRAL NERVOUS SYSTEM, and affects multiple neurotransmission systems.	3.11	1	0	carbonate salt; lithium salt	antimanic drug
4-chloromercuribenzenesulfonate 4-Chloromercuribenzenesulfonate: A cytotoxic sulfhydryl reagent that inhibits several subcellular metabolic systems and is used as a tool in cellular physiology.	2.36	2	0	arenesulfonic acid; arylmercury compound
3-nitrophenol [no description available]	2	1	0	3-nitrophenols
brocresine Brocresine: A histidine decarboxylase inhibitor.	1.96	1	0
glycyl-glycyl-glycine glycyl-glycyl-glycine : A tripeptide in which three glycine units are linked via peptide bonds in a linear sequence.	2.71	3	0	tripeptide zwitterion; tripeptide
glycylglycine [no description available]	3.08	5	0	dipeptide zwitterion; dipeptide	human metabolite
diethylzinc [no description available]	2.06	1	0
glycerylphosphorylcholine Glycerylphosphorylcholine: A component of PHOSPHATIDYLCHOLINES or LECITHINS, in which the two hydroxy groups of GLYCEROL are esterified with fatty acids. (From Stedman, 26th ed)	2.53	2	0	glycerophosphocholine
diepoxybutane diepoxybutane: difunctional alkylating agent; RN given refers to cpd with unspecified isomeric designation; structure	1.96	1	0	epoxide	mutagen
2-hydroxybutyric acid 2-hydroxybutyric acid: RN given refers to cpd without isomeric designation. hydroxybutyric acid : Any compound comprising a butyric acid core carrying at least one hydroxy substituent.. 2-hydroxybutyric acid : A hydroxybutyric acid having a single hydroxyl group located at position 2; urinary secretion of 2-hydroxybutyric acid is increased with alcohol ingestion or vigorous physical exercise and is associated with lactic acidosis and ketoacidosis in humans and diabetes in animals.	2.02	1	0	2-hydroxy monocarboxylic acid; hydroxybutyric acid	algal metabolite; human metabolite
malachite green malachite green: RN given refers to parent cpd; structure. malachite green : An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture.	2.06	1	0	organic chloride salt	antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent
congo red Congo Red: An acid dye used in testing for hydrochloric acid in gastric contents. It is also used histologically to test for AMYLOIDOSIS.. Congo Red : An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0.	3.28	6	0	bis(azo) compound
docusate Dioctyl Sulfosuccinic Acid: All-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries. It has also been used in laxatives and as cerumenolytics. It is usually administered as either the calcium, potassium, or sodium salt.	2.39	2	0	diester; organosulfonic acid
3-hydroxyflavone 3-hydroxyflavone: structure given in first source. flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.	2.89	3	0	flavonols; monohydroxyflavone
diphenylamine Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.	2.34	2	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
3-tyramine 3-tyramine: MH Tyramine refers to 4-tyramine; RN given refers to parent cpd. m-tyramine : A primary amino compound that is 2-phenylethanamine substituted by a hydroxy group at position 3.	2.36	2	0	primary amino compound; tyramines	human urinary metabolite; neurotransmitter
isovalerylaldehyde isovalerylaldehyde: structure in Merck Index, 9th ed, #5093. 3-methylbutanal : A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives.	2	1	0	methylbutanal	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
levulinic acid levulinic acid: inhibits 5-aminolevulinic acid dehydratase; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5316. 4-oxopentanoic acid : An oxopentanoic acid with the oxo group in the 4-position.	2.63	3	0	oxopentanoic acid; straight-chain saturated fatty acid	plant metabolite
butylurea butylurea: CNS depressant	3.06	1	0
n,n-dimethylethylamine [no description available]	2.1	1	0
pentafluorobenzoic acid [no description available]	2.11	1	0	perfluorinated compound
alpha-naphthoflavone alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4. alpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).	2.42	2	0	extended flavonoid; naphtho-gamma-pyrone; organic heterotricyclic compound	aryl hydrocarbon receptor agonist; aryl hydrocarbon receptor antagonist; EC 1.14.14.14 (aromatase) inhibitor
erythropoietin 1,5-dinitronaphthalene: structure in first source. 1,5-dinitronaphthalene : A dinitronaphthalene carrying nitro groups at positions 1 and 5.	2.13	1	0	dinitronaphthalene	genotoxin
galactitol [no description available]	2.64	3	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
1-aminoanthracene [no description available]	2.05	1	0	anthracenamine
phenylglyoxylic acid phenylglyoxylic acid: styrene metabolite. phenylglyoxylic acid : A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group.	1.99	1	0	2-oxo monocarboxylic acid	biomarker; human xenobiotic metabolite
2-hydroxyphenylacetic acid 2-hydroxyphenylacetic acid: structure. (2-hydroxyphenyl)acetic acid : A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.	2.67	3	0	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite
diethylmethylamine [no description available]	2.1	1	0
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	2.49	2	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
chorismic acid Chorismic Acid: A cyclohexadiene carboxylic acid derived from SHIKIMIC ACID and a precursor for the biosynthesis of UBIQUINONE and the AROMATIC AMINO ACIDS.. chorismic acid : The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid.	6.29	20	0	5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
3-hydroxybenzeneacetic acid 3-hydroxybenzeneacetic acid: metabolite of L-dopa; structure. 3-hydroxyphenylacetic acid : A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group.	2.36	2	0	monocarboxylic acid; phenols	human xenobiotic metabolite
glycine ethyl ester glycine ethyl ester: RN given refers to parent cpd	2.1	1	0
dimethyl disulfide [no description available]	2.41	1	0	organic disulfide	xenobiotic metabolite
6-methyluracil 6-methyluracil: RN given refers to unlabeled cpd; structure. 6-methyluracil : A pyrimidone that is uracil with a methyl group at position 6.	1.95	1	0	pyrimidone	metabolite
n-methylpiperidine N-methylpiperidine: RN given refers to parent cpd	2.1	1	0
n-propyl disulfide n-propyl disulfide: major flavor component of onions; non-nitrogenous, pungent volatile oil. dipropyl disulfide : An organic disulfide where the alkyl groups specified are propyl. It is a component of the essential oils obtained from Allium.	2.01	1	0	organic disulfide	plant metabolite
c.i. 42510 Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin.	2.51	2	0
clopenthixol Clopenthixol: A thioxanthene with therapeutic actions similar to the phenothiazine antipsychotics. It is an antagonist at D1 and D2 dopamine receptors.. clopenthixol : A thioxanthene derivative having a chloro substituent at the 2-position and an alkylidene group at the 10-position with undefined double bond stereochemistry.	2.01	1	0	N-alkylpiperazine; primary alcohol; thioxanthenes	alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
glycochenodeoxycholic acid Glycochenodeoxycholic Acid: A bile salt formed in the liver from chenodeoxycholate and glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is a cholagogue and choleretic.. glycochenodeoxycholate : A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid.. glycochenodeoxycholic acid : A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component.	2.15	1	0	bile acid glycine conjugate	human metabolite
benzydamine Benzydamine: A benzyl-indazole having analgesic, antipyretic, and anti-inflammatory effects. It is used to reduce post-surgical and post-traumatic pain and edema and to promote healing. It is also used topically in treatment of RHEUMATIC DISEASES and INFLAMMATION of the mouth and throat.. benzydamine : A member of the class of indazoles carrying benzyl and 3-(dimethylamino)propyl groups at positions 1 and 3 respectively. A locally-acting nonsteroidal anti-inflammatory drug that also exhibits local anaesthetic and analgesic properties.	2.1	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
erythromycin Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.	6.18	45	0	cyclic ketone; erythromycin
homoserine homoserine : An alpha-amino acid that is glycine substituted at the alpha-position by a 2-hydroxyethyl group.. L-homoserine : The L-enantiomer of homoserine.	4.45	7	0	amino acid zwitterion; homoserine	algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
nitrosoguanidines Nitrosoguanidines: Nitrosylated derivatives of guanidine. They are used as MUTAGENS in MOLECULAR BIOLOGY research.	4.03	15	0
2-piperidone 2-piperidone: structure given in first source. piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2.	7.41	2	0	delta-lactam; piperidones	EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor
methylnitrosourea Methylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-methyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups.	3.05	1	0	N-nitrosoureas	alkylating agent; carcinogenic agent; mutagen; teratogenic agent
pyridine n-oxide pyridine N-oxide: RN given refers to parent cpd. pyridine N-oxide : The pyridine N-oxide derived from the parent pyridine. It is a drug metabolite of the antihypertensive agent pinacidil.	2.1	1	0	pyridine N-oxides	drug metabolite
phenylphosphate phenylphosphate: structure given in first source. phenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.	1.99	1	0	aryl phosphate	mouse metabolite
diphenyliodonium diphenyliodonium: RN given refers to the parent coumpound; inhibitor of neutrophil superoxide generating oxidase; structure has been determined	2.25	1	0
ethylnitrosourea Ethylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-ethyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups.	8.24	6	0	N-nitrosoureas	alkylating agent; carcinogenic agent; genotoxin; mutagen
levonorgestrel Levonorgestrel: A synthetic progestational hormone with actions similar to those of PROGESTERONE and about twice as potent as its racemic or (+-)-isomer (NORGESTREL). It is used for contraception, control of menstrual disorders, and treatment of endometriosis.	1.97	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
methylphosphate methylphosphate: specifically and irreversibly inactivates inorganic pyrophosphatase; RN given refers to parent cpd. methyl dihydrogen phosphate : A monoalkyl phosphate having methyl as the alkyl group.	2.21	1	0	monoalkyl phosphate; one-carbon compound	algal metabolite; epitope; phosphoantigen
tempidon 2,2,6,6-tetramethyl-4-piperidinone: structure in first source	2.1	1	0	piperidones
adamantanecarboxylic acid [no description available]	2.05	1	0
4-nitrophenyl acetate [no description available]	2.03	1	0	C-nitro compound; phenyl acetates
naphthyl acetate naphthyl acetate: do not confuse with naphthaleneacetic acid; acetic acid ester of naphthol	1.94	1	0
ethyl n-alpha-acetyl-tyrosinate ethyl N-alpha-acetyl-tyrosinate: RN given refers to parent cpd. ethyl N-acetyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-acetyltyrosine.	2.36	2	0	acetamides; ethyl ester; L-tyrosine derivative; phenols
potassium citrate Potassium Citrate: A powder that dissolves in water, which is administered orally, and is used as a diuretic, expectorant, systemic alkalizer, and electrolyte replenisher.. potassium citrate (anhydrous) : The anhydrous form of the tripotassium salt of citric acid.	2.51	2	0	potassium salt	diuretic
hydroxyethyl methacrylate hydroxyethyl methacrylate: many of cited refs are for gel which refers to polymeric form of above cpd: POLYHYDROXYETHYL METHACRYLATE. 2-hydroxyethyl methacrylate : An enoate ester that is the monomethacryloyl derivative of ethylene glycol.	3.01	4	0	enoate ester	allergen; polymerisation monomer
n-methylpyrrolidone 1-methylpyrrolidin-2-one: structure in first source. N-methylpyrrolidin-2-one : A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group.	2.11	1	0	lactam; N-alkylpyrrolidine; pyrrolidin-2-ones	polar aprotic solvent
terbutryne terbutryn : A methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively.	2.01	1	0	diamino-1,3,5-triazine; methylthio-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
benzoylarginine nitroanilide Benzoylarginine Nitroanilide: A chromogenic substrate that permits direct measurement of peptide hydrolase activity, e.g., papain and trypsin, by colorimetry. The substrate liberates p-nitroaniline as a chromogenic product.	2.37	2	0
diphenoxylate Diphenoxylate: A MEPERIDINE congener used as an antidiarrheal, usually in combination with ATROPINE. At high doses, it acts like morphine. Its unesterified metabolite difenoxin has similar properties and is used similarly. It has little or no analgesic activity.. diphenoxylate : A piperidinecarboxylate ester that is the ethyl ester of difenoxin.	4.22	1	0	ethyl ester; nitrile; piperidinecarboxylate ester; tertiary amine	antidiarrhoeal drug
hexafluoroisopropanol 1,1,1,3,3,3-hexafluoropropan-2-ol : An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.	2.95	4	0	organofluorine compound; secondary alcohol	drug metabolite
omega-aminoenantic acid [no description available]	1.95	1	0	medium-chain fatty acid
9-aminophenanthrene [no description available]	2.03	1	0	phenanthrenamine
methylparaoxon [no description available]	2	1	0	C-nitro compound
deoxycytidine [no description available]	3.1	5	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyuridine [no description available]	3.21	6	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2,6-dichloroindophenol 2,6-Dichloroindophenol: A dye used as a reagent in the determination of vitamin C.. 2,6-dichloroindophenol : A quinone imine that is indophenol substituted by chloro groups at positions 2 and 6.. N-3,5-dichloro-4-hydroxyphenyl-1,4-benzoquinone imine : 1,4-benzoquinone imine having a 3,5-dichloro-4-hydroxyphenyl substituent attached to the nitrogen atom.	1.96	1	0	dichlorobenzene; quinone imine
diazoxon diazoxon: a pesticide; structure. diazoxon : An organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group. It is a metabolite of the pesticide diazinon.	2	1	0	organic phosphate; pyrimidines	marine xenobiotic metabolite
rhodamine 6g rhodamine 6G: RN given refers to HCl	2.46	2	0
pyrrolnitrin Pyrrolnitrin: 3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole. Antifungal antibiotic isolated from Pseudomonas pyrrocinia. It is effective mainly against Trichophyton, Microsporium, Epidermophyton, and Penicillium.. pyrrolnitrin : A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively.	3.1	1	0	alkaloid; C-nitro compound; monochlorobenzenes; pyrroles	antifungal drug; bacterial metabolite
deoxycytidine monophosphate Deoxycytidine Monophosphate: Deoxycytidine (dihydrogen phosphate). A deoxycytosine nucleotide containing one phosphate group esterified to the deoxyribose moiety in the 2'-,3'- or 5- positions.. 2'-deoxycytosine 5'-monophosphate : A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having cytosine as the nucleobase.	1.94	1	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; mouse metabolite
allylglycine Allylglycine: An inhibitor of glutamate decarboxylase and an antagonist of GAMMA-AMINOBUTYRIC ACID. It is used to induce convulsions in experimental animals.	2.05	1	0
ethambutol Ethambutol: An antitubercular agent that inhibits the transfer of mycolic acids into the cell wall of the tubercle bacillus. It may also inhibit the synthesis of spermidine in mycobacteria. The action is usually bactericidal, and the drug can penetrate human cell membranes to exert its lethal effect. (From Smith and Reynard, Textbook of Pharmacology, 1992, p863). ethambutol : An ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone.	2.39	2	0	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic
cyanoacetylene cyanoacetylene: structure in first source	2.41	1	0
phenylglyoxal [no description available]	2.37	2	0	phenylacetaldehydes
tetradecyltrimethylammonium tetradecyltrimethylammonium: cationic surfactant; used to determine thermal stability of DNA; Catrimox-14 is the tradename of the oxalate; Catrimox-14 lyses cells and simultaneously precipitates RNA and was demonstrated useful in isolating RNA from whole blood	2.03	1	0
4-dimethylaminopyridine 4-dimethylaminopyridine: catalyst for acetylation of hydroxy cpds; structure	2.46	2	0	dialkylarylamine; tertiary amino compound
methylmercury hydroxide [no description available]	1.96	1	0
4-aminothiophenol [no description available]	2.21	1	0
durapatite Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH).	3.53	8	0
potassium hydroxide potassium hydroxide: RN given refers to cpd with MF of K-OH	2.42	2	0	alkali metal hydroxide
sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)	3.83	12	0	alkali metal hydroxide
manganese dioxide [no description available]	7.42	2	0	manganese molecular entity; metal oxide
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	2.25	1	0	zinc molecular entity
ferrous sulfide ferrous sulfide: RN given refers to cpd with MF of Fe-S; mackinawite & troilite both have MF Fe-S	2.01	1	0
ammonium hydroxide Ammonium Hydroxide: The hydroxy salt of ammonium ion. It is formed when AMMONIA reacts with water molecules in solution.. ammonium hydroxide : A solution of ammonia in water.	2.04	1	0	inorganic hydroxy compound	food acidity regulator
vancomycin Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.	10.01	12	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils.	5.57	17	1	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
tocopherols [no description available]	2.41	1	0
pregnenolone carbonitrile Pregnenolone Carbonitrile: A catatoxic steroid and microsomal enzyme inducer having significant effects on the induction of cytochrome P450. It has also demonstrated the potential for protective capability against acetaminophen-induced liver damage.	2.02	1	0	aliphatic nitrile
pseudouridine [no description available]	4.31	6	0	pseudouridines	fundamental metabolite
selenomethionine [no description available]	2.21	1	0	selenoamino acid; selenomethionines	plant metabolite
selenocystine selenocystine: RN given refers to parent cpd; structure	1.94	1	0	diselenide; selenoamino acid
allyl isocyanate allyl isocyanate: a glycosinolate degradation product that has insectidical activity	2.02	1	0	isocyanates
spectinomycin Spectinomycin: An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of GONORRHEA.. spectinomycin dihydrochloride : A hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea.. spectinomycin : A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis.	2.35	2	0	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite
pyrazon pyrazon: structure; do not confuse with phenazone which is a synonym to antipyrine. chloridazon : A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2.	2.36	2	0	benzenes; organochlorine compound; primary amino compound; pyridazinone	environmental contaminant; herbicide; xenobiotic
clopyralid clopyralid : An organochlorine pesticide having a 3,6-dichlorinated picolinic acid structure.	2.1	1	0	organochlorine pesticide; pyridines	herbicide
decane decane : A straight-chain alkane with 10 carbon atoms.	2.6	1	0	alkane
dimethylaminopropionitrile [no description available]	2.1	1	0
(4-tert-Butyl-phenoxy)-acetic acid [no description available]	1.96	1	0	monocarboxylic acid
ethyldimethylaminopropyl carbodiimide Ethyldimethylaminopropyl Carbodiimide: Carbodiimide cross-linking reagent.	2.38	2	0
paraquat Paraquat: A poisonous dipyridilium compound used as contact herbicide. Contact with concentrated solutions causes irritation of the skin, cracking and shedding of the nails, and delayed healing of cuts and wounds.. paraquat : An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.	2.71	3	0	organic cation	geroprotector; herbicide
2'-deoxyadenosine triphosphate 2'-deoxyadenosine triphosphate: RN given refers to unlabeled parent cpd	2.02	1	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
s,n,n'-tripropylthiocarbamate Reward: An object or a situation that can serve to reinforce a response, to satisfy a motive, or to afford pleasure.. vernolate : A monounsaturated fatty acid anion that is the conjugate base of vernolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	6.36	15	3	tertiary amine
tetrabutylammonium tetrabutylammonium: lipophilic probe; RN given refers to parent cpd	2.72	3	0	quaternary ammonium ion
5-hydroxyindole [no description available]	2.86	4	0	hydroxyindoles	human metabolite
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	2.65	3	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
methionine sulfoximine methionine sulfoximine : A non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine .	8.05	5	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
amiloride Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705). amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.	3.27	6	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403). pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.	2.1	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
1,6-diaminohexane 1,6-diaminohexane: Russian drug; RN given refers to parent cpd; structure. hexane-1,6-diamine : A C6 alkane-alpha,omega-diamine.	2.06	1	0	alkane-alpha,omega-diamine	human xenobiotic metabolite
azetidyl-2-carboxylic acid azetidyl-2-carboxylic acid: a proline analog (with 4-membered ring in place of 5); a toxic non-protein amino acid that is misincorporated into protein in place of proline; induces nonfunctional heat-shock proteins; inhibits acquired thermotolerance; RN given refers to (L)-isomer; found in beets and Liliaceae. (S)-azetidine-2-carboxylic acid : The (S)-enantiomer of azetidine-2-carboxylic acid.. azetidinecarboxylic acid : A member of the class of azetidines that is azetidine substituted by at least one carboxy group at unspecified position.	2.38	2	0	azetidine-2-carboxylic acid
flumethasone Flumethasone: An anti-inflammatory glucocorticoid used in veterinary practice.	1.94	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-inflammatory drug
diallyl disulfide diallyl disulfide: major constituent of garlic oil. diallyl disulfide : An organic disulfide where the organic group specified is allyl. It has been isolated from garlic and other species of the genus Allium.	2.01	1	0	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite
n-isopropylacrylamide N-isopropylacrylamide: can polymerize with glycidyl acrylate to form reactive water-soluble polymer that can react with the amino groups of enzymes-proteins or other ligands	2.05	1	0
5-phenylvaleric acid 5-phenylvaleric acid: from Polygonum salicifolium. 5-phenylpentanoic acid : A monocarboxylic acid that is valeric acid substituted by a phenyl group at the delta-position.	2.1	1	0	benzenes; monocarboxylic acid
peroxyacetyl nitrate peroxyacetyl nitrate: important air pollutant; structure	2	1	0
fluorescein Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy.	6.21	12	1	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
thioflavin t thioflavin T: RN given refers to chloride; structure. thioflavine T : An organic chloride salt having 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium as the counterion. It is widely used to visualise and quantify the presence of amyloids, both in vitro and in vivo.	3.42	7	0	organic chloride salt	fluorochrome; geroprotector; histological dye
flupenthixol Flupenthixol: A thioxanthene neuroleptic that, unlike CHLORPROMAZINE, is claimed to have CNS-activating properties. It is used in the treatment of psychoses although not in excited or manic patients. (From Martindale, The Extra Pharmacopoeia, 30th ed, p595). flupenthixol : A thioxanthene derivative having a trifluoromethyl substituent at the 2-position and a 3-(4-(2-hydroxyethyl)piperazin-1-yl)propylidene group at the 10-position with undefined double bond stereochemistry.	2.41	2	0	thioxanthenes
fucose Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule.. L-fucopyranose : The pyranose form of L-fucose.. fucose : Any deoxygalactose that is deoxygenated at the 6-position.	3.82	12	0	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
2-chloro-4-aminobenzoic acid 2-chloro-4-aminobenzoic acid: urinary metabolite of chloroprocaine. 4-amino-2-chlorobenzoic acid : 4-Aminobenzoic acid in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine.	2.1	1	0	aminobenzoic acid; monochlorobenzenes
benzophenoneidum Benzophenoneidum: An aniline dye used as a disinfectant and an antiseptic agent. It is weakly fluorescing and binds specifically to certain proteins.. auramine O : A hydrochloride obtained by combining 4,4'-carbonimidoylbis(N,N-dimethylaniline) with one molar equivalent of hydrogen chloride. A fluorescent stain for demonstrating acid fast organisms in a method similar to the Ziehl Neelsen. It also can be used to make a fluorescent Schiff reagent.	2.36	2	0	hydrochloride	fluorochrome; histological dye
n-acetylimidazole [no description available]	1.99	1	0	N-acylimidazole
acetosyringone acetosyringone: plant inducer which induces expression of VirE & VirG in A. tumefaciens. acetosyringone : A member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5.	2.01	1	0	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
cme-carbodiimide [no description available]	1.95	1	0
thymine glycol thymine glycol: forms photodimers (thymine dimers) under UV; RN given refers to cpd without isomeric designation	3.07	1	0	hydroxypyrimidine
uridine diphosphate galactose Uridine Diphosphate Galactose: A nucleoside diphosphate sugar which can be epimerized into UDPglucose for entry into the mainstream of carbohydrate metabolism. Serves as a source of galactose in the synthesis of lipopolysaccharides, cerebrosides, and lactose.. UDP-alpha-D-galactose : A UDP-D-galactose in which the anomeric centre of the galactose moiety has alpha-configuration.	1.99	1	0	UDP-D-galactose	mouse metabolite
dichloroacetonitrile dichloroacetonitrile: by-product of water chlorination; structure given in first source	2.41	1	0	aliphatic nitrile
tetrahydropapaveroline Tetrahydropapaveroline: A leukomaine (animal alkaloid) formed in brain and liver from dopamine and L-dopa; it may be implicated in psychiatric problems.	1.95	1	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	human metabolite
2,2-bis(bromomethyl)-1,3-propanediol 2,2-bis(bromomethyl)-1,3-propanediol: structure given in first source	1.94	1	0	primary alcohol
fluorescein-5-isothiocyanate Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.	3.51	8	0	fluorescein isothiocyanate
sabinene sabinene: RN given refers to cpd without isomeric designation. sabinene : A thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species.	2.73	3	0	thujene	plant metabolite
1-octen-3-ol 1-octen-3-ol: main flavor component of mushrooms; RN given refers to cpd without isomeric designation; bait for insect vectors (tsetse, sandflies, mosquitoes). oct-1-en-3-ol : An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It is a major volatile compound present in many mushrooms and fungi.	2.11	1	0	alkenyl alcohol; medium-chain fatty alcohol	antimicrobial agent; fungal metabolite; insect attractant; volatile oil component
mannose mannopyranose : The pyranose form of mannose.	11.29	19	0	D-aldohexose; D-mannose; mannopyranose	metabolite
dithiothreitol 1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol.	11.45	35	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
cyclacillin Cyclacillin: A cyclohexylamido analog of PENICILLANIC ACID.	2.4	2	0	penicillin	antibacterial drug
palmatine burasaine: structure in first source	7.25	1	0	berberine alkaloid; organic heterotetracyclic compound	plant metabolite
2-chloroethyl methanesulfonate [no description available]	6.93	1	0
cyclazocine Cyclazocine: An analgesic with mixed narcotic agonist-antagonist properties.	3.33	1	1
cephaloglycin Cephaloglycin: A cephalorsporin antibiotic.. cefaloglycin : A cephalosporin antibiotic containing at the 7beta-position of the cephem skeleton an (R)-amino(phenyl)acetamido group.	1.95	1	0	beta-lactam antibiotic allergen; cephalosporin	antimicrobial agent
phenoxyacetic acid phenoxyacetic acid : A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes.	2.41	2	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant
ecdysone [no description available]	2	1	0	14alpha-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; 6-oxo steroid; ecdysteroid	prohormone
cyclic cmp Cyclic CMP: A cyclic nucleotide formed from CYTIDINE TRIPHOSPHATE by the action of cytidylate cyclase. It is a potential cyclic nucleotide intracellular mediator of signal transductions.. 3',5'-cyclic CMP : A 3',5'-cyclic pyrimidine nucleotide having cytosine as the nucleobase.	2.42	2	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
n-lauryl iminodipropionate N-lauryl iminodipropionate: deriphat 160c is synonymous to mono-Na salt & deriphat 160 is synonymous to di-Na salt; RN given refers to (beta)-isomer	2.01	1	0
tranylcypromine Tranylcypromine: A propylamine formed from the cyclization of the side chain of amphetamine. This monoamine oxidase inhibitor is effective in the treatment of major depression, dysthymic disorder, and atypical depression. It also is useful in panic and phobic disorders. (From AMA Drug Evaluations Annual, 1994, p311). tranylcypromine : A racemate comprising equal amounts of (1R,2S)- and (1S,2R)-2-phenylcyclopropan-1-amine. An irreversible monoamine oxidase inhibitor that is used as an antidepressant (INN tranylcypromine).. (1R,2S)-tranylcypromine : A 2-phenylcyclopropan-1-amine that is the (1R,2S)-enantiomer of tranylcypromine.	8.2	6	0	2-phenylcyclopropan-1-amine
2-(aminomethyl)pyridine [no description available]	4.19	16	0	pyridines
denatonium benzoate [no description available]	3.4	1	1
streptomycin [no description available]	7.89	108	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
carbonates Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.	4.05	15	0	carbon oxoanion
3-chloro-4-hydroxybenzoate [no description available]	1.99	1	0
dideoxyadenosine Dideoxyadenosine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is an inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal side effect is nephrotoxicity. In vivo, dideoxyadenosine is rapidly metabolized to DIDANOSINE (ddI) by enzymatic deamination; ddI is then converted to dideoxyinosine monophosphate and ultimately to dideoxyadenosine triphosphate, the putative active metabolite.	1.97	1	0	adenosines; purine 2',3'-dideoxyribonucleoside	EC 3.5.4.4 (adenosine deaminase) inhibitor; EC 4.6.1.1 (adenylate cyclase) inhibitor
2-octanol 2-octanol: RN given refers to cpd without isomeric designation. octan-2-ol : An octanol carrying the hydroxy group at position 2.	2.21	1	0	octanol; secondary alcohol	plant metabolite; volatile oil component
fructosamine Fructosamine: An amino sugar formed when glucose non-enzymatically reacts with the N-terminal amino group of proteins. The fructose moiety is derived from glucose by the classical Amadori rearrangement.	2.1	1	0
acetylthiocholine Acetylthiocholine: An agent used as a substrate in assays for cholinesterases, especially to discriminate among enzyme types.	2.01	1	0
ochratoxin c ochratoxin C: converted into ochratoxin A in vivo; RN given refers to (R)-isomer. ochratoxin C : A phenylalanine derivative that is the ethyl ester of ochratoxin A.	1.97	1	0	alpha-amino acid ester; isochromanes; phenylalanine derivative	Aspergillus metabolite; mycotoxin; Penicillium metabolite
metanephrine Metanephrine: Product of epinephrine O-methylation. It is a commonly occurring, pharmacologically and physiologically inactive metabolite of epinephrine.	2.37	2	0	catecholamine
buthionine sulfoximine Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl.	1.99	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
5,6-dihydroxytryptamine 5,6-Dihydroxytryptamine: Tryptamine substituted with two hydroxyl groups in positions 5 and 6. It is a neurotoxic serotonin analog that destroys serotonergic neurons preferentially and is used in neuropharmacologic research.	1.96	1	0
trioctylmethylammonium trioctylmethylammonium: used in high performance liquid chromatography for the separation of tRNA; RN given refers to chloride. methyltrioctylammonium : A quaternary ammonium ion with three octyl groups and one methyl group attached to the nitrogen.	2.69	3	0	quaternary ammonium ion
norleucine Norleucine: An unnatural amino acid that is used experimentally to study protein structure and function. It is structurally similar to METHIONINE, however it does not contain SULFUR.. L-norleucine : A non-proteinogenic L-alpha-amino acid comprising hexanoic acid carrying an amino group at C-2. It does not occur naturally.	5.27	17	0	2-aminohexanoic acid; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid
raspberry ketone rheosmin: an NSAID that blocks NF-kappaB activation; isolated from Pinus densiflora; structure in first source. raspberry ketone : A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics.	2.01	1	0	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite
dihydrostreptomycin sulfate Dihydrostreptomycin Sulfate: A semi-synthetic aminoglycoside antibiotic that is used in the treatment of TUBERCULOSIS.	4.99	13	0
diadenosine tetraphosphate P(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions.	1.96	1	0	diadenosyl tetraphosphate	Escherichia coli metabolite; mouse metabolite
iprindole Iprindole: A tricyclic antidepressant that has actions and uses similar to those of AMITRIPTYLINE, but has only weak antimuscarinic and sedative effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p257)	2.35	2	0	indoles
o,o-diethyl o-3,5,6-trichloro-2-pyridyl phosphate [no description available]	2	1	0
iodinated glycerol iodinated glycerol: secretolytic agent; RN given refers to cpd without iodine locant	2.34	2	0	dioxolane
3,3',5'-triiodothyronine [no description available]	2.01	1	0	iodothyronine	human metabolite
2-amino-1-butanol 2-amino-1-butanol: structure	2.92	1	0
n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.	3.12	5	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
levodopa methyl ester levodopa methyl ester: RN given refers to parent cpd(L)-isomer	8.22	6	0	tyrosine derivative
hepes [no description available]	2.05	1	0	HEPES; organosulfonic acid
iridium Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22.	2.03	1	0	cobalt group element atom; platinum group metal atom
lanthanum [no description available]	3.21	6	0	f-block element atom; lanthanoid atom; scandium group element atom
manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.	6.81	63	1	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
mercury Mercury: A silver metallic element that exists as a liquid at room temperature. It has the atomic symbol Hg (from hydrargyrum, liquid silver), atomic number 80, and atomic weight 200.59. Mercury is used in many industrial applications and its salts have been employed therapeutically as purgatives, antisyphilitics, disinfectants, and astringents. It can be absorbed through the skin and mucous membranes which leads to MERCURY POISONING. Because of its toxicity, the clinical use of mercury and mercurials is diminishing.. mercury(0) : Elemental mercury of oxidation state zero.	4.14	17	0	elemental mercury; zinc group element atom	neurotoxin
molybdenum Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase.	4.86	11	0	chromium group element atom	micronutrient
neodymium Neodymium: An element of the rare earth family of metals. It has the atomic symbol Nd, atomic number 60, and atomic weight 144.24, and is used in industrial applications.	7.68	3	0	f-block element atom; lanthanoid atom
osmium Osmium: A very hard, gray, toxic, and nearly infusible metal element, atomic number 76, atomic weight 190.2, symbol Os.	2.64	3	0	iron group element atom; platinum group metal atom
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	4.67	26	0	metal allergen; nickel group element atom; platinum group metal atom
platinum Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae.	3.43	7	0	elemental platinum; nickel group element atom; platinum group metal atom
praseodymium Praseodymium: An element of the rare earth family of metals. It has the atomic symbol Pr, atomic number 59, and atomic weight 140.91.	2.05	1	0	f-block element atom; lanthanoid atom
rhenium Rhenium: A metal, atomic number 75, atomic weight 186.207, symbol Re.	2.73	3	0	manganese group element atom
rhodium Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45.	8.61	8	0	cobalt group element atom
ruthenium Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM.	3.4	7	0	iron group element atom; platinum group metal atom
samarium Samarium: An element of the rare earth family of metals. It has the atomic symbol Sm, atomic number 62, and atomic weight 150.36. The oxide is used in the control rods of some nuclear reactors.	7.47	2	0	f-block element atom; lanthanoid atom
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	4.46	21	0	copper group element atom; elemental silver	Escherichia coli metabolite
tantalum Tantalum: A rare metallic element, atomic number 73, atomic weight 180.948, symbol Ta. It is a noncorrosive and malleable metal that has been used for plates or disks to replace cranial defects, for wire sutures, and for making prosthetic devices.	2.07	1	0	vanadium group element atom
technetium Technetium: The first artificially produced element and a radioactive fission product of URANIUM. Technetium has the atomic symbol Tc, and atomic number 43. All technetium isotopes are radioactive. Technetium 99m (m=metastable) which is the decay product of Molybdenum 99, has a half-life of about 6 hours and is used diagnostically as a radioactive imaging agent. Technetium 99 which is a decay product of technetium 99m, has a half-life of 210,000 years.	3.05	5	0	manganese group element atom
terbium Terbium: An element of the rare earth family of metals. It has the atomic symbol Tb, atomic number 65, and atomic weight 158.92.	3.24	6	0	f-block element atom; lanthanoid atom
thulium Thulium: An element of the rare earth family of metals. It has the atomic symbol Tm, atomic number 69, and atomic weight 168.93.	2.04	1	0	f-block element atom; lanthanoid atom
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	8.37	6	0	titanium group element atom
tungsten Tungsten: A metallic element with the atomic symbol W, atomic number 74, and atomic weight 183.85. It is used in many manufacturing applications, including increasing the hardness, toughness, and tensile strength of steel; manufacture of filaments for incandescent light bulbs; and in contact points for automotive and electrical apparatus.	2.69	3	0	chromium group element atom	micronutrient
americium Americium: A completely man-made radioactive actinide with atomic symbol Am, and atomic number 95. Its valence can range from +3 to +6. Because of its nonmagnetic ground state, it is an excellent superconductor. It is also used in bone mineral analysis and as a radiation source for radiotherapy.	2.11	1	0	actinoid atom; f-block element atom
argon Argon: A noble gas with the atomic symbol Ar, atomic number 18, and atomic weight 39.948. It is used in fluorescent tubes and wherever an inert atmosphere is desired and nitrogen cannot be used.	2.38	2	0	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	9.42	22	0	cadmium molecular entity; zinc group element atom
cerium Cerium: An element of the rare earth family of metals. It has the atomic symbol Ce, atomic number 58, and atomic weight 140.12. Cerium is a malleable metal used in industrial applications.	3.15	5	0	f-block element atom; lanthanoid atom
chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24.	2.9	4	0	chromium group element atom; metal allergen	micronutrient
europium Europium: An element of the rare earth family of metals. It has the atomic symbol Eu, atomic number 63, and atomic weight 152. Europium is used in the form of its salts as coatings for cathode ray tubes and in the form of its organic derivatives as shift reagents in NMR spectroscopy.	9.08	15	0	f-block element atom; lanthanoid atom
gadolinium Gadolinium: An element of the rare earth family of metals. It has the atomic symbol Gd, atomic number 64, and atomic weight 157.25. Its oxide is used in the control rods of some nuclear reactors.	3.62	9	0	f-block element atom; lanthanoid atom
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	5.24	46	0	copper group element atom; elemental gold
uranium Uranium: A radioactive element of the actinide series of metals. It has an atomic symbol U, atomic number 92, and atomic weight 238.03. U-235 is used as the fissionable fuel in nuclear weapons and as fuel in nuclear power reactors.	7.65	3	0	actinoid atom; f-block element atom; monoatomic uranium
vanadium Vanadium: A metallic element with the atomic symbol V, atomic number 23, and atomic weight 50.94. It is used in the manufacture of vanadium steel. Prolonged exposure can lead to chronic intoxication caused by absorption usually via the lungs.	7.64	3	0	elemental vanadium; vanadium group element atom	micronutrient
xenon Xenon: A noble gas with the atomic symbol Xe, atomic number 54, and atomic weight 131.30. It is found in the earth's atmosphere and has been used as an anesthetic.	2.37	2	0	monoatomic xenon; noble gas atom; p-block element atom
zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr.	2.03	1	0	titanium group element atom
cupric chloride cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state.	2.45	2	0	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
magnesium sulfate Magnesium Sulfate: A small colorless crystal used as an anticonvulsant, a cathartic, and an electrolyte replenisher in the treatment of pre-eclampsia and eclampsia. It causes direct inhibition of action potentials in myometrial muscle cells. Excitation and contraction are uncoupled, which decreases the frequency and force of contractions. (From AMA Drug Evaluations Annual, 1992, p1083). magnesium sulfate : A magnesium salt having sulfate as the counterion.	3.2	6	0	magnesium salt; metal sulfate; organic magnesium salt	anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent
mercuric chloride Mercuric Chloride: Mercury chloride (HgCl2). A highly toxic compound that volatizes slightly at ordinary temperature and appreciably at 100 degrees C. It is corrosive to mucous membranes and used as a topical antiseptic and disinfectant.. mercury dichloride : A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed.	2.35	2	0	mercury coordination entity	sensitiser
acetylglucosamine Acetylglucosamine: The N-acetyl derivative of glucosamine.. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre.	3.11	5	0	N-acetyl-D-glucosamine	epitope
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	3.34	7	0	D-galactosamine; primary amino compound	toxin
phosphoric acid, trisodium salt [no description available]	2.4	2	0	sodium phosphate
octamethylenediamine octamethylenediamine: RN given refers to parent cpd. 1,8-diaminooctane : An alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups.	2.13	1	0	alkane-alpha,omega-diamine
sodium nitrate sodium nitrate : The inorganic nitrate salt of sodium.	4.56	2	2	inorganic nitrate salt; inorganic sodium salt	fertilizer; NMR chemical shift reference compound
cesium chloride cesium chloride: RN given refers to unlabeled cpd. caesium chloride : The inorganic chloride salt of caesium; each caesium ion is coordinated by eight chlorine ions.	1.99	1	0	inorganic caesium salt; inorganic chloride	phase-transfer catalyst; vasoconstrictor agent
hypochlorous acid Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water.	2.74	3	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	9.05	4	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
ferric chloride ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents	2.08	1	0	iron coordination entity	astringent; Lewis acid
ferrous sulfate ferrous sulfate: Ferro-Gradumet is ferrous sulfate in controlled release form; RN given refers to Fe(+2)[1:1] salt. iron(2+) sulfate (anhydrous) : A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC.	2.44	2	0	iron molecular entity; metal sulfate	reducing agent
phosphine phosphane : The simplest phosphine, consisting of a single phosphorus atom with three hydrogens attached.. phosphine : Phosphane (PH3) and compounds derived from it by substituting one, two or three hydrogen atoms by hydrocarbyl groups: RPH2, R2PH, R3P (R =/= H) are called primary, secondary and tertiary phosphines, respectively. A specific phosphine is preferably named as a substituted phosphane.	7.98	4	0	mononuclear parent hydride; phosphanes; phosphine	carcinogenic agent; fumigant insecticide
isopentenyladenosine Isopentenyladenosine: N(6)-[delta(3)-isopentenyl]adenosine. Isopentenyl derivative of adenosine which is a member of the cytokinin family of plant growth regulators.. N(6)-(Delta(2)-isopentenyl)adenosine : A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group.	2.35	2	0	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite
bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested.	6.04	39	0	diatomic bromine
monoethylglycinexylidide monoethylglycinexylidide: RN given refers to unlabeled parent cpd; metabolite of xylocaine; structure. monoethylglycinexylidide : Amino acid amide formed from 2,6-dimethylaniline and N-ethylglycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function.	2	1	0	amino acid amide	drug metabolite
s-methylcysteine S-methylcysteine: RN given refers to parent cpd without isomeric designation. S-methylcysteine : A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group.	1.97	1	0	S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine	human urinary metabolite; plant metabolite
sodium sulfate [no description available]	8.06	5	0	inorganic sodium salt
sodium sulfite [no description available]	7.96	4	0	inorganic sodium salt; sulfite salt	food preservative; reducing agent
calcium phosphate, dibasic, anhydrous calcium phosphate, dibasic, anhydrous: molecular formula CaHPO(4), DCPA=dicalcium phosphate anhydrous; don't confuse with dichloropropionanilide which also is called DCPA; MW=136.06; has greater surface area and lower pH than DCPD (dicalcium phosphate dihydrate); occurs in nature as monetite; an intermediate in preparing hydroxyapatite	1.96	1	0	calcium phosphate
calcium phosphate, monobasic, anhydrous calcium phosphate, monobasic: MW 234.05	1.96	1	0	calcium phosphate	fertilizer
tricalcium phosphate tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues.	3.33	7	0	calcium phosphate
ferrous chloride ferrous chloride: induces convulsions; RN given refers to parent cpd	2.39	2	0	iron coordination entity
chromates Chromates: Salts of chromic acid containing the CrO(2-)4 radical.. chromate(2-) : A chromium oxoanion resulting from the removal of two protons from chromic acid.	1.94	1	0	chromium oxoanion; divalent inorganic anion	oxidising agent
copper sulfate Copper Sulfate: A sulfate salt of copper. It is a potent emetic and is used as an antidote for poisoning by phosphorus. It also can be used to prevent the growth of algae.. copper(II) sulfate : A metal sulfate compound having copper(2+) as the metal ion.	2.4	2	0	metal sulfate	emetic; fertilizer; sensitiser
tungstate [no description available]	2	1	0	divalent inorganic anion; tungsten oxoanion
zinc nitrate [no description available]	2.08	1	0
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	14.36	215	15	dihydrogen
fluorine Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries.	12.3	173	4	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	8.68	83	1	diatomic chlorine; gas molecular entity	bleaching agent
nitrous acid Nitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed)	7.35	2	0	nitrogen oxoacid
deuterium oxide Deuterium Oxide: The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant & Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes.	4.23	17	0	deuterated compound; water	NMR solvent
galactose aldohexose : A hexose with a (potential) aldehyde group at one end.	5	16	0
vasotocin Vasotocin: A nonapeptide that contains the ring of OXYTOCIN and the side chain of ARG-VASOPRESSIN with the latter determining the specific recognition of hormone receptors. Vasotocin is the non-mammalian vasopressin-like hormone or antidiuretic hormone regulating water and salt metabolism.. vasotocin : A heterodetic cyclic peptide that is homologous to oxytocin and vasopressin. It is a pituitary hormone that acts as an endocrine regulator for water balance, osmotic homoeostasis and is involved in social and sexual behavior in non-mammalian vertebrates.	2.37	2	0
phosphoryl chloride phosphoryl chloride: structure	2.02	1	0	phosphorus coordination entity
ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.	7.39	2	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
4-chloro-7-nitrobenzofurazan 4-Chloro-7-nitrobenzofurazan: A benzofuran derivative used as a protein reagent since the terminal N-NBD-protein conjugate possesses interesting fluorescence and spectral properties. It has also been used as a covalent inhibitor of both beef heart mitochondrial ATPase and bacterial ATPase.. 4-chloro-7-nitrobenzofurazan : A benzoxadiazole that is 2,1,3-benzoxadiazole which is substituted at position 4 by chlorine and at position 7 by a nitro group.	3.3	6	0	benzoxadiazole; C-nitro compound; organochlorine compound	EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome
trolamine salicylate Arthritis: Acute or chronic inflammation of JOINTS.	3.75	3	0
stanozolol Stanozolol: A synthetic steroid that has anabolic and androgenic properties. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1194). stanozolol : An organic heteropentacyclic compound resulting from the formal condensation of the 3-keto-aldehyde moiety of oxymetholone with hydrazine. Like oxymetholone, it is a synthetic anabolic steroid. It has both anabolic and androgenic properties, and has been used to treat hereditary angioedema and various vascular disorders. It has also been widely abused by professional athletes.	1.95	1	0	17beta-hydroxy steroid; anabolic androgenic steroid; organic heteropentacyclic compound; tertiary alcohol	anabolic agent; androgen
rhamnose [no description available]	2.4	2	0	L-rhamnose
chloramine [no description available]	2.4	2	0	halide
ammonium chloride Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.	5.51	70	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
chloropeptide chloropeptide: hepatoxic cyclic pentapeptide of Penicillium islandicum Sopp.; structure	2.59	2	0
ethionine L-ethionine : An S-ethylhomocysteine that has S-configuration at the chiral centre.	7.02	63	0	S-ethylhomocysteine	antimetabolite; carcinogenic agent
cysteic acid Cysteic Acid: Beta-Sulfoalanine. An amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep's fleece, where the wool is exposed to light and weather.. cysteic acid : An amino sulfonic acid that is the sulfonic acid analogue of cysteine.	2.71	3	0	alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid	animal metabolite
dimethyl adipimidate Dimethyl Adipimidate: Bifunctional cross-linking agent that links covalently free amino groups of proteins or polypeptides, including those in cell membranes. It is used as reagent or fixative in immunohistochemistry and is a proposed antisickling agent.	3.06	1	0
arabinofuranosylcytosine triphosphate Arabinofuranosylcytosine Triphosphate: A triphosphate nucleotide analog which is the biologically active form of CYTARABINE. It inhibits nuclear DNA synthesis.	2.01	1	0
4-aminobutanol 4-aminobutanol: structure given in first source	2.02	1	0
titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.	3.03	4	0	titanium oxides	food colouring
misonidazole Misonidazole: A nitroimidazole that sensitizes normally radio-resistant hypoxic cells to radiation. It may also be directly cytotoxic to hypoxic cells and has been proposed as an antineoplastic.	3.21	1	0
4-chlorophenoxyacetic acid 4-chlorophenoxyacetic acid: RN given refers to parent cpd; structure. (4-chlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4.	2.41	2	0	chlorophenoxyacetic acid; monochlorobenzenes	phenoxy herbicide
tiletamine hydrochloride Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof.	9.54	21	2
etorphine Etorphine: A narcotic analgesic morphinan used as a sedative in veterinary practice.	2.02	1	0
selegiline Selegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl.	7.91	4	0	selegiline; terminal acetylenic compound	geroprotector
levamisole Levamisole: An antihelminthic drug that has been tried experimentally in rheumatic disorders where it apparently restores the immune response by increasing macrophage chemotaxis and T-lymphocyte function. Paradoxically, this immune enhancement appears to be beneficial in rheumatoid arthritis where dermatitis, leukopenia, and thrombocytopenia, and nausea and vomiting have been reported as side effects. (From Smith and Reynard, Textbook of Pharmacology, 1991, p435-6). levamisole : A 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole that has S configuration. It is used (generally as the monohydrochloride salt) to treat parasitic worm infections in pigs, sheep and cattle and was formerly used in humans as an adjuvant to chemotherapy for the treatment of various cancers. It is also widely used as an adulterant to coccaine.	5.9	32	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
methyl acetimidate methyl acetimidate: affords intermediate protection for amino group; RN given refers to parent cpd; structure	3.06	1	0
thiamphenicol [no description available]	2.39	2	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
cephalexin Cephalexin: A semisynthetic cephalosporin antibiotic with antimicrobial activity similar to that of CEPHALORIDINE or CEPHALOTHIN, but somewhat less potent. It is effective against both gram-positive and gram-negative organisms.. cephalexin : A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract.	2.9	4	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
4-nitrobenzofurazan 4-nitrobenzofurazan: structure	2.03	1	0
tetradecanoylphorbol acetate Tetradecanoylphorbol Acetate: A phorbol ester found in CROTON OIL with very effective tumor promoting activity. It stimulates the synthesis of both DNA and RNA.. phorbol ester : Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C.. phorbol 13-acetate 12-myristate : A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types.	4.7	29	0	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator
ethephon (2-chloroethyl)phosphonic acid: structure in first source. (2-chloroethyl)phosphonic acid : A phosphonic acid compound having a 2-chloroethyl substituent attached to the P-atom.	3.01	4	0	phosphonic acids	plant growth regulator
ornidazole Ornidazole: A nitroimidazole antiprotozoal agent used in ameba and trichomonas infections. It is partially plasma-bound and also has radiation-sensitizing action.. ornidazole : A C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by 3-chloro-2-hydroxypropyl and methyl groups, respectively. It is used in the treatment of susceptible protozoal infections and for the treatment of anaerobic bacterial infections.	2.57	2	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
nickel sulfide nickel sulfide: RN given refers to cpd with MF of Ni-S; see also nickel subsulfide: 12035-72-2	2.01	1	0
gold tetrachloride, acid gold tetrachloride, acid: used in root canal therapy; RN given refers to (SP-4-1)	2.03	1	0
fluorides [no description available]	5.26	54	0	halide anion; monoatomic fluorine
n-acetylglycinamide [no description available]	2.02	1	0
18-crown-6 18-crown-6 : A crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms.	2.87	3	0	crown ether; saturated organic heteromonocyclic parent	phase-transfer catalyst
benomyl [no description available]	2.39	2	0	aromatic amide; benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	acaricide; anthelminthic drug; antifungal agrochemical; microtubule-destabilising agent; tubulin modulator
1-deoxynojirimycin 1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.	6.01	4	2	2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid	anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite
geosmin geosmin: earthy smelling cpd from sediment in Lake Biwa; structure. (-)-geosmin : The (-)-stereoisomer of geosmin, having 4S,4aS,8aR configuration.	2.11	1	0	geosmin
iodine [no description available]	5.2	16	0	halide anion; monoatomic iodine	human metabolite
daunorubicin Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.. anthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.. daunorubicin : A natural product found in Actinomadura roseola.	3.99	4	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
cyanazine cyanazine: structure. cyanazine : A chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively.	2.11	1	0	1,3,5-triazinylamino nitrile; chloro-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
phosphotyrosine Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis.. O(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.	6.22	44	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	9.79	254	1	benzenes; phenyl acetates
n-phenylethanolamine [no description available]	2.44	2	0	aralkylamine
cetylpyridinium chloride anhydrous tserigel: according to first source contains polyvinylbutyral & cetylpyridinium chloride; UD only lists cetylpyridinium chloride as constituent. cetylpyridinium chloride : A pyridinium salt that has N-hexadecylpyridinium as the cation and chloride as the anion. It has antiseptic properties and is used in solutions or lozenges for the treatment of minor infections of the mouth and throat.	4.49	5	1	chloride salt; organic chloride salt	antiseptic drug; surfactant
4-ethylphenol 4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4.	2	1	0	phenols	fungal xenobiotic metabolite
4-anisaldehyde 4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.	1.99	1	0	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite
methylformamide N-methylformamide : A member of the class of formamides having a N-methyl substituent.	2.04	1	0	formamides
isopentyl alcohol isopentyl alcohol: RN given refers to unlabeled parent cpd. isoamylol : An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group.	1.99	1	0	alkyl alcohol; primary alcohol; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite
pyrrolidine [no description available]	2.51	2	0	azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent
1,4-dioxane 1,4-dioxane: dehydrating agent; polar solvent miscible both with water & most organic solvents. dioxane : Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms.. 1,4-dioxane : A dioxane with oxygen atoms at positions 1 and 4.	2.92	4	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
triamcinolone Triamcinolone: A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739). triamcinolone : A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections.	2.63	3	0	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
sucrose octaacetate sucrose octaacetate: bitter tasting cpd preferred by rats to quinine; RN given refers to ((beta-D)-fructofuranosyl)-isomer	1.99	1	0	glycoside
fludrocortisone Fludrocortisone: A synthetic mineralocorticoid with anti-inflammatory activity.	1.94	1	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid	adrenergic agent; anti-inflammatory drug
ursodeoxycholic acid Ursodeoxycholic Acid: An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.. ursodeoxycholic acid : A bile acid found in the bile of bears (Ursidae) as a conjugate with taurine. Used therapeutically, it prevents the synthesis and absorption of cholesterol and can lead to the dissolution of gallstones.. ursodeoxycholate : A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	9.6	2	2	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
pregnanolone Pregnanolone: A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.. 3alpha-hydroxy-5beta-pregnan-20-one : The 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one.	2.21	1	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
2,6-di-tert-butylphenol 2,6-di-tert-butylphenol: RN given refers to parent cpd. 2,6-di-tert-butylphenol : A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6.	2.13	1	0	alkylbenzene; phenols	antioxidant
pyrene pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system.	3.02	4	0	ortho- and peri-fused polycyclic arene	fluorescent probe; persistent organic pollutant
metipranolol Metipranolol: A beta-adrenergic antagonist effective for both beta-1 and beta-2 receptors. It is used as an antiarrhythmic, antihypertensive, and antiglaucoma agent.. metipranolol : 3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma.	2.1	1	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
4-methoxyamphetamine 4-methoxyamphetamine: para-methoxy derivative to amphetamine with hallucinogenic properties; minor descriptor (75-86); on line & INDEX MEDICUS search AMPHETAMINES (75-86); RN given refers to parent compound without isomeric designation	2.34	2	0
dihydro-beta-erythroidine Dihydro-beta-Erythroidine: Dihydro analog of beta-erythroidine, which is isolated from the seeds and other plant parts of Erythrina sp. Leguminosae. It is an alkaloid with curarimimetic properties.. dihydro-beta-erythroidine : An organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene.	2.03	1	0	delta-lactone; organic heterotetracyclic compound; tertiary amino compound	nicotinic antagonist
prospidium Prospidium: An antineoplastic dispiropiperazine derivative.	3.45	2	0
8-bromo cyclic adenosine monophosphate 8-Bromo Cyclic Adenosine Monophosphate: A long-acting derivative of cyclic AMP. It is an activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.. 8-Br-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP bearing an additional bromo substituent at position 8 on the adenine ring. An activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.	2.89	4	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
carticaine Carticaine: A thiophene-containing local anesthetic pharmacologically similar to MEPIVACAINE.	2.03	1	0	thiophenecarboxylic acid
transferrin Transferrin: An iron-binding beta1-globulin that is synthesized in the LIVER and secreted into the blood. It plays a central role in the transport of IRON throughout the circulation. A variety of transferrin isoforms exist in humans, including some that are considered markers for specific disease states.	6.07	9	1
propamocarb propamocarb: RN given refers to parent cpd. propamocarb : A carbamate ester that is the propyl ester of 3-(dimethylamino)propylcarbamic acid. It is a systemic fungicide, used (normally as the hydrochloride salt) for the control of soil, root and leaf diseases caused by oomycetes, particularly Phytophthora and Pythium species.	2.1	1	0	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic
tridemorph tridemorph: RN given refers to cpd with unspecified isomeric designation; structure. tridemorph : A mixture of 4-alkyl-2,6-dimethylmorpholines, where 'alkyl' is a mixture of C11 to C14 homologues of which 60-70% is tridecyl. A systemic fungicide, it is no longer approved for use within the European Union.. 2,6-dimethyl-4-tridecylmorpholine : A member of the class of morpholines that is 2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a tridecyl group. The configuration at positions 2 and 6 is unknown or unspecified.	1.99	1	0	morpholines; tertiary amino compound	antifungal agrochemical
alkenes [no description available]	3.62	9	0
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	12.96	257	3	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
adenylyl imidodiphosphate Adenylyl Imidodiphosphate: 5'-Adenylic acid, monoanhydride with imidodiphosphoric acid. An analog of ATP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It is a potent competitive inhibitor of soluble and membrane-bound mitochondrial ATPase and also inhibits ATP-dependent reactions of oxidative phosphorylation.	1.95	1	0	adenosine 5'-phosphate
torpedo Torpedo: A genus of the Torpedinidae family consisting of several species. Members of this family have powerful electric organs and are commonly called electric rays.	3.25	6	0
sodium azide Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid).	3.08	5	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
azides Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3.	7.74	153	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
adenosine diphosphate ribose Adenosine Diphosphate Ribose: An ester formed between the aldehydic carbon of RIBOSE and the terminal phosphate of ADENOSINE DIPHOSPHATE. It is produced by the hydrolysis of nicotinamide-adenine dinucleotide (NAD) by a variety of enzymes, some of which transfer an ADP-ribosyl group to target proteins.	2	1	0	ADP-sugar	Escherichia coli metabolite; mouse metabolite
amoxicillin Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.	2.93	4	0	penicillin allergen; penicillin	antibacterial drug
timolol (S)-timolol (anhydrous) : The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.	2.1	1	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
enterobactin [no description available]	7.42	2	0	catechols; crown compound; macrotriolide; polyphenol	bacterial metabolite; siderophore
2-methyl-3-furanthiol 2-methyl-3-furanthiol: possible off-flavor in stored orange juice	2.07	1	0	heteroarene
1-(9-fluorenyl)methyl chloroformate 1-(9-fluorenyl)methyl chloroformate: used for tagging silica-based derivatization reagents in HPLC	2.4	2	0
2-aminotetralin 2-aminotetralin: RN given refers to parent cpd without isomeric designation; structure	1.97	1	0	tetralins
dimethyl suberimidate Dimethyl Suberimidate: The methyl imidoester of suberic acid used to produce cross links in proteins. Each end of the imidoester will react with an amino group in the protein molecule to form an amidine.	1.99	1	0
s-adenosylmethionine acylcarnitine: structure in first source. S-adenosyl-L-methioninate : A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group.	4.69	5	1	sulfonium betaine	human metabolite
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	2.11	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
acetylgalactosamine Acetylgalactosamine: The N-acetyl derivative of galactosamine.	2.76	2	0	N-acetyl-D-hexosamine; N-acetylgalactosamine	Escherichia coli metabolite; human metabolite; mouse metabolite
5,7-dihydroxytryptamine 5,7-Dihydroxytryptamine: Tryptamine substituted with two hydroxyl groups in positions 5 and 7. It is a neurotoxic serotonin analog that destroys serotonergic neurons preferentially and is used in neuropharmacology as a tool.	1.95	1	0
flubendazole flubendazole: the p-fluoro analog of mebendazole. flubendazole : A member of the class of mebendazole in which the benzoyl group is replaced by a p-fluorobenzoyl group. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections.	2.6	1	0	aromatic ketone; benzimidazoles; carbamate ester; organofluorine compound	antinematodal drug; teratogenic agent
amdinocillin Amdinocillin: An amidinopenicillanic acid derivative with broad spectrum antibacterial action.. mecillinam : A penicillin in which the 6beta substituent is [(azepan-1-yl)methylidene]amino; an extended-spectrum penicillin antibiotic that binds specifically to penicillin binding protein 2 (PBP2), and is only considered to be active against Gram-negative bacteria.	3.1	1	0	penicillin	antibacterial drug; antiinfective agent
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	9.61	25	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
15-crown-5 15-crown-5 : A saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether.	2.13	1	0	crown ether; saturated organic heteromonocyclic parent
etoposide [no description available]	2.95	4	0	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
substance p [no description available]	4.34	20	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
phenyl-2-aminoethyl sulfide phenyl-2-aminoethyl sulfide: dopamine-beta-hydroxylase substrate; structure given in first source	2.1	1	0
ribavirin Rebetron: Rebetron is tradename	2.75	3	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
amikacin Amikacin: A broad-spectrum antibiotic derived from KANAMYCIN. It is reno- and oto-toxic like the other aminoglycoside antibiotics.. amikacin : An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group.	1.99	1	0	alpha-D-glucoside; amino cyclitol glycoside; aminoglycoside; carboxamide	antibacterial drug; antimicrobial agent; nephrotoxin
phorbol 12,13-dibutyrate Phorbol 12,13-Dibutyrate: A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems.	1.97	1	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
thiocholine Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.	2.05	1	0
tolamolol [no description available]	2.1	1	0
fluorescamine Fluorescamine: A nonfluorescent reagent for the detection of primary amines, peptides and proteins. The reaction products are highly fluorescent.	7.64	3	0
cephradine Cephradine: A semi-synthetic cephalosporin antibiotic.. cephradine : A first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton.	2.38	2	0	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
pentafluorobenzoyl-n-phenylethylamine [no description available]	1.97	1	0
ticrynafen Ticrynafen: A novel diuretic with uricosuric action. It has been proposed as an antihypertensive agent.. tienilic acid : An aromatic ketone that is 2,3-dichlorophenoxyacetic acid in which the hydrogen at position 4 on the benzene ring is replaced by a thiophenecarbonyl group. A loop diuretic used to treat hypertension, it was withdrawn from the market in 1982 due to links with hepatitis.	2.01	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
methyldopa Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.	6.5	37	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
bezafibrate [no description available]	2.37	2	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725 Nadolol: A non-selective beta-adrenergic antagonist with a long half-life, used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. Nadolol is also used for MIGRAINE DISORDERS and for tremor.. nadolol : Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.	4.12	3	1
diltiazem Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.. diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.	2.7	3	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
triadimefon 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one : A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group.	1.99	1	0	aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles
1-methyl-4-phenylpyridinium 1-Methyl-4-phenylpyridinium: An active neurotoxic metabolite of 1-METHYL-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE. The compound reduces dopamine levels, inhibits the biosynthesis of catecholamines, depletes cardiac norepinephrine and inactivates tyrosine hydroxylase. These and other toxic effects lead to cessation of oxidative phosphorylation, ATP depletion, and cell death. The compound, which is related to PARAQUAT, has also been used as an herbicide.. N-methyl-4-phenylpyridinium : A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.	2.46	2	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
vecuronium bromide Vecuronium Bromide: Monoquaternary homolog of PANCURONIUM. A non-depolarizing neuromuscular blocking agent with shorter duration of action than pancuronium. Its lack of significant cardiovascular effects and lack of dependence on good kidney function for elimination as well as its short duration of action and easy reversibility provide advantages over, or alternatives to, other established neuromuscular blocking agents.. vecuronium bromide : The organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents.	2.03	1	0	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist
vx VX nerve agent : A organic thiophosphate that is the ethyl ester of S-{2-[di(propan-2-yl)amino]ethyl} O hydrogen methylphosphonothioate. A toxic nerve agent used in chemical warfare.	2.02	1	0	organic thiophosphate; tertiary amino compound	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin
ng-nitroarginine methyl ester NG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.	2.42	2	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
deoxynivalenol deoxynivalenol : A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.	2.03	1	0	cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol	mycotoxin
chlorodiphenyl (54% chlorine) Chlorodiphenyl (54% Chlorine): A mixture of polychlorinated biphenyls that induces hepatic microsomal UDP-glucuronyl transferase activity towards thyroxine.. Aroclor 1254 : A mixture of polychlorobiphenyls of unspecified composition, containing 54% chlorine (X = Cl or H).	2.07	1	0
decamethrin decamethrin: pyrethroid insecticide; RN given refers to cpd without isomeric designation; structure	2.73	3	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
pirfenidone pirfenidone : A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis.	2	1	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available]	2.51	2	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
1-carboxyglutamic acid 1-Carboxyglutamic Acid: Found in various tissues, particularly in four blood-clotting proteins including prothrombin, in kidney protein, in bone protein, and in the protein present in various ectopic calcifications.	2.43	2	0
3,3',5,5'-tetramethylbenzidine T1023: radioprotective NO-Synthase Inhibitor	2.44	2	0
meglitinide meglitinide: structure given in first source & in Negwer, 5th ed, #6436	7.44	13	0
7,8-dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide 7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide: 7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno (3,4-b)oxirene-7,8-diol. A benzopyrene derivative with carcinogenic and mutagenic activity.	2.74	3	0	epoxide	intercalator
sufentanil Sufentanil: An opioid analgesic that is used as an adjunct in anesthesia, in balanced anesthesia, and as a primary anesthetic agent.. sufentanil : An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.	2.1	1	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
torsemide Torsemide: A pyridine and sulfonamide derivative that acts as a sodium-potassium chloride symporter inhibitor (loop diuretic). It is used for the treatment of EDEMA associated with CONGESTIVE HEART FAILURE; CHRONIC RENAL INSUFFICIENCY; and LIVER DISEASES. It is also used for the management of HYPERTENSION.. torasemide : An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure.	2.11	1	0	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic
cefmetazole Cefmetazole: A semisynthetic cephamycin antibiotic with a broad spectrum of activity against both gram-positive and gram-negative microorganisms. It has a high rate of efficacy in many types of infection and to date no severe side effects have been noted.. cefmetazole : A second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha respectively of the parent cephem bicyclic structure.	7.37	2	0	cephalosporin	antibacterial drug
metalaxyl metalaxyl: RN given refers to (DL-Ala)-isomer. metalaxyl : A racemate comprising equal amounts of (R)- and (S)-metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops.. methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate : An alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group.	2.07	1	0	alanine derivative; aromatic amide; carboxamide; ether; methyl ester
enkephalin, methionine Enkephalin, Methionine: One of the endogenous pentapeptides with morphine-like activity. It differs from LEU-ENKEPHALIN by the amino acid METHIONINE in position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.	5.21	16	0
Flamprop [no description available]	2.1	1	0	benzamides
nitroacetic acid nitroacetic acid: inhibits succinate dehydrogenase; RN given refers to parent cpd	2.04	1	0
paroxetine Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.. paroxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo.	2.95	4	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril Captopril: A potent and specific inhibitor of PEPTIDYL-DIPEPTIDASE A. It blocks the conversion of ANGIOTENSIN I to ANGIOTENSIN II, a vasoconstrictor and important regulator of arterial blood pressure. Captopril acts to suppress the RENIN-ANGIOTENSIN SYSTEM and inhibits pressure responses to exogenous angiotensin.. captopril : A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.	3.58	9	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
mezlocillin Kassinin: Dodecapeptide tachykinin found in the central nervous system of the amphibian Kassina senegalensis. It is similar in structure and action to other tachykinins, but is especially effective in contracting smooth muscle tissue and stimulating the micturition reflex.	2	1	0
chlorsulfuron chlorsulfuron: RN given refers to parent cpd; structure given in first source. chlorsulfuron : An N-sulfonylurea that is N-carbamoyl-2-chlorobenzenesulfonamide in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used for the control of broadleaf weeds in wheat, barley and oats.	2.13	1	0	methoxy-1,3,5-triazine; monochlorobenzenes; N-sulfonylurea	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
n-phenylacetylphenylalanine N-phenylacetylphenylalanine: potentially useful in treatment of sickle cell anemia; RN given refers to (L)-isomer	1.96	1	0	N-acyl-amino acid
pergolide Pergolide: A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.. pergolide : A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.	3.41	1	1	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	4.02	14	0	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
bucindolol bucindolol: an indolyl-tert-butyl-phenoxypropanolamine benzonitrile derivative	2.01	1	0
fomesafen fomesafen: a protoporphyrinogen oxidase-inhibiting herbicide. fomesafen : An N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya.	4.77	10	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone [no description available]	2.05	1	0	aromatic ketone
lovastatin Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.. lovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).	2.44	2	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
simvastatin Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.	2.41	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
remoxipride Remoxipride: An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia.	2.1	1	0	dimethoxybenzene
balsalazide balsalazide: a mesalamine 5-aminosalicylate prodrug; 99% of ingested drug remains intact through the stomach and is delivered to and activated in the colon; used for inflammatory bowel disease, ulcerative colitis and radiation-induced proctosigmoiditis but avoided in patients with known hypersensitivity reaction to salicylates or mesalamine; structure in first source. balsalazide : A monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond.	2.01	1	0
pravastatin Pravastatin: An antilipemic fungal metabolite isolated from cultures of Nocardia autotrophica. It acts as a competitive inhibitor of HMG CoA reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES).. pravastatin : A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin.	2.45	2	0	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic
bambuterol bambuterol: selective inhibitor of butyrylcholinesterase & acetylcholinesterase. bambuterol : A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.	2.42	2	0	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
atomoxetine atomoxetine : A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.	2.1	1	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
raloxifene hydrochloride Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.. raloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.	3.53	2	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
mifepristone Mifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.	1.98	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
itraconazole Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.	4.14	3	1	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
ractopamine ractopamine: veterinary growth stimulant. ractopamine : A diastereoisomeric mixture of approximately equal amounts of all four possible diastereoisomers of 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol. A beta-adrenergic agonist, it is used (generally as the hydrochloride salt) as a feed additive for use in pigs and other livestock to promote protein deposition, resulting in leaner meat. The R,R diastereoisomer, butopamine, is responsible for most of the leanness-enhancing effects. While use of ractopamine has been banned in over 120 countries including throughout the EU, in the US it used in an estimated 80% of all beef, pork and turkey production.. 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol : A secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group.	1.98	1	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
fluorodopa f 18 fluorodopa F 18: RN given refers to (L)-isomer	2.67	3	0	(18)F radiopharmaceutical; 6-fluoro-L-dopa
ipsapirone [no description available]	2.03	1	0	N-arylpiperazine
fura-2 Fura-2: A fluorescent calcium chelating agent which is used to study intracellular calcium in tissues.	2.41	2	0
sparfloxacin [no description available]	2.05	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
clopidogrel Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.. clopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks.	3.1	1	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
cidofovir anhydrous Cidofovir: An acyclic nucleoside phosphonate that acts as a competitive inhibitor of viral DNA polymerases. It is used in the treatment of RETINITIS caused by CYTOMEGALOVIRUS INFECTIONS and may also be useful for treating HERPESVIRUS INFECTIONS.. cidofovir anhydrous : Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients.	2.03	1	0	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent
bromfenac bromfenac: bromfenac sodium is the active cpd; structure in first source. bromfenac : Amfenac in which the the hydrogen at the 4 position of the benzoyl group is substituted by bromine. It is used for the management of ocular pain and treatment of postoperative inflammation in patients who have undergone cataract extraction. It was withdrawn from the US market in 1998, following concerns over off-label abuse and hepatic failure.	2.31	1	0	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	2.44	2	0	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic
ibutilide ibutilide: RN & structure in first source; RN refers to the fumarate salt	2.02	1	0	benzenes; organic amino compound
remifentanil Remifentanil: A piperidine-propionate derivative and opioid analgesic structurally related to FENTANYL. It functions as a short-acting MU OPIOID RECEPTOR agonist, and is used as an analgesic during induction or maintenance of general anesthesia, following surgery, during childbirth, and in mechanically ventilated patients under intensive care.. remifentanil : A piperidinecarboxylate ester that is methyl piperidine-4-carboxylate in which the hydrogen attached to the nitrogen is substituted by a 3-methoxy-3-oxopropyl group and the hydrogen at position 4 is substituted the nitrogen of N-propanoylaniline.	2.05	1	0	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative
atorvastatin [no description available]	2.1	1	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine [no description available]	2.5	2	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
duloxetine hydrochloride Duloxetine Hydrochloride: A thiophene derivative and selective NEUROTRANSMITTER UPTAKE INHIBITOR for SEROTONIN and NORADRENALINE (SNRI). It is an ANTIDEPRESSIVE AGENT and ANXIOLYTIC, and is also used for the treatment of pain in patients with DIABETES MELLITUS and FIBROMYALGIA.. (S)-duloxetine hydrochloride : A duloxetine hydrochloride in which the duloxetine moiety has S configuration.	2.1	1	0	duloxetine hydrochloride	antidepressant
irinotecan [no description available]	3.57	2	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
valsartan Valsartan: A tetrazole derivative and ANGIOTENSIN II TYPE 1 RECEPTOR BLOCKER that is used to treat HYPERTENSION.. valsartan : A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.	10.57	17	11	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
ziprasidone ziprasidone: a benzisothiazoylpiperazine derivative; has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone. ziprasidone : A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.	2.01	1	0	1,2-benzisothiazole; indolones; organochlorine compound; piperazines	antipsychotic agent; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; psychotropic drug; serotonergic antagonist
3-iodobenzylguanidine 3-Iodobenzylguanidine: A guanidine analog with specific affinity for tissues of the sympathetic nervous system and related tumors. The radiolabeled forms are used as antineoplastic agents and radioactive imaging agents. (Merck Index, 12th ed) MIBG serves as a neuron-blocking agent which has a strong affinity for, and retention in, the adrenal medulla and also inhibits ADP-ribosyltransferase.	2.42	2	0	organoiodine compound
darglitazone [no description available]	2.01	1	0
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	11.76	60	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
nitroaniline nitroaniline: RN given refers to cpd with unspecified locant for nitro moiety. nitroaniline : A substituted aniline that carries one or more nitro groups.	2.13	1	0
nitrogen chloride nitrogen chloride: strong irritant & lacrimator	2.15	1	0	nitrogen halide
d-lactic acid (R)-lactic acid : An optically active form of lactic acid having (R)-configuration.	2.72	3	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
nitrogen trioxide [no description available]	1.98	1	0	nitrogen oxide
cymantrene [no description available]	2.04	1	0
vanadates Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.	4.01	14	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline 2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline: strong mutagen found in broiled foods; structure given in first source. MeIQx : An imidazoquinoxaline that is 3H-imidazo[4,5-f]quinoxaline substituted at positions 3 and 8 by methyl groups and at position 2 by an amino group. A mutagenic compound found in cooked beef.	3.34	2	0	aromatic amine; imidazoquinoxaline	carcinogenic agent; genotoxin; Maillard reaction product; mutagen
acridine orange Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination.	2.37	2	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
isobutyl chloroformate [no description available]	2	1	0
isothiocyanic acid [no description available]	2.05	1	0	hydracid; one-carbon compound
potassium phosphate potassium phosphate: used in dental materials and to treat hypophosphatemia; RN given refers to cpd with unspecified MF. tripotassium phosphate : An inorganic potassium salt that is the tripotassium salt of phosphoric acid.	2.75	3	0	inorganic phosphate salt; inorganic potassium salt
caloreen caloreen: glucose polymer with average length of five glucose units for dietary energy supplement. dextrin : Glucans produced by the hydrolysis of starch or glycogen. They are mixtures of polymers of D-glucose units linked by alpha(1->4) or alpha(1->6) glycosidic bonds.	3.09	5	0
colestipol Colestipol: Highly crosslinked and insoluble basic anion exchange resin used as anticholesteremic. It may also may reduce triglyceride levels.. colestipol : A high molecular weight copolymer of diethylenetriamine and epichlorohydrin (hydrochloride), with approximately 1 out of 5 amine nitrogens protonated. Due to the highly cross-linked and insoluble nature of the material, no structural formula has been assigned and no specific molecular weight information is available. A basic anion exchange resin, it is used as its hydrochloride for binding bile acids in the intestine, inhibiting their reabsorption.	2.13	1	0
trazodone hydrochloride Triticum: A plant genus of the family POACEAE that is the source of EDIBLE GRAIN. A hybrid with rye (SECALE CEREALE) is called TRITICALE. The seed is ground into FLOUR and used to make BREAD, and is the source of WHEAT GERM AGGLUTININS.. trazodone hydrochloride : A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride.	7.93	78	1	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trovafloxacin trovafloxacin: a trifluoronaphthyridone derivative of 7-(3-azabicyclo(3.1.0)hexyl)naphthyridone; has antineoplastic activity. trovafloxacin : A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.	2.1	1	0
efavirenz efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.	2.11	1	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
nelfinavir Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.. nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.	2	1	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
methionine methyl ester [no description available]	2.92	4	0
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.	5.81	22	1	D-glucopyranose	epitope; mouse metabolite
2-amino-3-phenylbutanoic acid [no description available]	2.37	2	0
terlakiren terlakiren: RN given for (R-(R,S))-isomer	1.99	1	0	peptide
2',7'-dichlorofluorescein 2',7'-dichlorofluorescein: RN given refers to parent cpd	2.04	1	0	2-benzofurans	fluorochrome
ursolic acid [no description available]	2.03	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	geroprotector; plant metabolite
1,5-anhydroglucitol 1,5-anhydroglucitol: structure. 1,5-anhydro-D-glucitol : An anhydro sugar of D-glucitol.	3.87	2	1	anhydro sugar	human metabolite
cyclen cyclen: macrocyclic polyamine metal-complexing agent. 1,4,7,10-tetraazacyclododecane : An azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms.	2.97	4	0	azacycloalkane; crown amine; saturated organic heteromonocyclic parent
cyclam cyclam: RN given refers to parent cpd; structure given in first source	1.98	1	0	azacycloalkane; crown amine; saturated organic heteromonocyclic parent
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	2.74	3	0	organic bromide salt	colorimetric reagent; dye
thymidine 5'-triphosphate thymidine 5'-triphosphate: RN given refers to parent cpd. dTTP : A thymidine phosphate having a triphosphate group at the 5'-position.	2.69	3	0	pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
3-methylhistidine 3-methylhistidine: marker for myofibrillar-protein breakdown; RN given refers to (L)-isomer. 3-methylhistidine : A methylhistidine in which the methyl group is located at N-3.. N(pros)-methyl-L-histidine : A L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring.	7.16	15	1	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite; Saccharomyces cerevisiae metabolite
baicalin [no description available]	3.7	1	1	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
kni 102 KNI 102: structure given in first source	1.99	1	0	peptide
tsao-t [no description available]	2	1	0
1-(2',5'-bis-o-(tert-butyldimethylsilylribofuranosyl)-3-n-methylthymine)-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide) 1-(2',5'-bis-O-(tert-butyldimethylsilylribofuranosyl)-3-N-methylthymine)-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide): structure given in first source; specific against HIV-1 replication	2	1	0
thionine thionine: do not confuse with the thionins which is a class of polypeptides; RN above is for the chloride;. thionine : An organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS.	2.08	1	0
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	3.2	4	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
n-acetylaspartic acid N-acetyl-L-aspartic acid : An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.	2.02	1	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
4-(2-pyridylazo)resorcinol 4-(2-pyridylazo)resorcinol: RN given refers to parent cpd	2.02	1	0
fluorexon fluorexon: structure	2.03	1	0	xanthene dye	fluorochrome
4-nitrophenylalanine 4-nitrophenylalanine: RN given refers to cpd without isomeric designation	4.5	23	0	C-nitro compound
2'-deoxycytidine 5'-triphosphate 2'-deoxycytidine 5'-triphosphate: RN given refers to unlabeled parent cpd	2.42	2	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
2,2'-dipyridyl disulfide 2,2'-dipyridyl disulfide: disulfide is an important moiety in this cpd. aldrithiol : A member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols.	1.97	1	0	organic disulfide; pyridines	oxidising agent
norvaline norvaline: differs from valine in being 1 carbon longer instead of branched; RN given refers to (L)-isomer; structure. L-2-aminopentanoic acid : A 2-aminopentanoic acid that has S-configuration.	2.35	2	0	2-aminopentanoic acid; L-alpha-amino acid zwitterion	bacterial metabolite; hypoglycemic agent; neuroprotective agent
3'-amino-3'-deoxyadenosine [no description available]	1.95	1	0
phenylalanylphenylalanine phenylalanylphenylalanine: RN given refers to (L,L)-isomer	13.75	141	0
leucine methyl ester leucine methyl ester: RN given refers to (L-Leu)-isomer. methyl L-leucinate : The methyl ester of L-leucine.	3.23	6	0	alpha-amino acid ester; L-leucine derivative; methyl ester
phosphoramidic acid phosphoramidic acid: urease inhibitor; RN given refers to parent cpd; structure; do not confuse with phosphoramidites, which are organophosphorus compounds	2.08	1	0	phosphoric acid derivative
4-nitrophenylgalactoside 4-nitrophenylgalactoside: RN refers to (beta-D)-isomer. 4-nitrophenyl-beta-D-galactoside : A beta-D-galactopyranoside having a 4-nitrophenyl substituent at the anomeric position.	2.01	1	0	beta-D-galactoside; monosaccharide derivative	affinity label
2',5'-dideoxyadenosine [no description available]	1.97	1	0	deoxyribonucleoside
nile red nile red : An organic heterotetracyclic compound that is 5H-benzo[a]phenoxazin-5-one substituted at position 9 by a diethylamino group.	1.98	1	0	aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound	fluorochrome; histological dye
metaperiodate Periodic Acid: A strong oxidizing agent.	4.39	22	0	iodine oxoacid
tris(2,2'-bipyridine)ruthenium(II) tris(2,2'-bipyridyl)ruthenium(II): a fluorescent dye; structure in first source	2.07	1	0	ruthenium coordination entity	fluorochrome
fluorophosphate fluorophosphate: inhibits Phosphorylas phosphatase irreversibly; RN given refers to parent cpd	1.94	1	0	fluorine molecular entity; phosphoric acid derivative
bis(1,10-phenanthroline)copper(1+) ion bis(1,10-phenanthroline)copper(1+) ion: RN given refers to (1+) ion	2.03	1	0
pyrrolidine dithiocarbamate pyrrolidine dithiocarbamic acid: spelled pyrolidine in J Nutr 1979 reference; RN given refers to parent cpd. pyrrolidine dithiocarbamate : A member of the class of dithiocarbamic acids that is the N-dithiocarboxy derivative of pyrrolidine.	3.82	2	1	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger
peroxynitric acid [no description available]	3.09	5	0	nitrogen oxoacid
glutathione disulfide Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.	3.61	2	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
baccatin iii [no description available]	7.42	2	0	acetate ester; benzoate ester; tetracyclic diterpenoid	plant metabolite
cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.	5.09	10	1	cephalosporin	fungal metabolite
dexverapamil dexverapamil : A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has R configuration. It competitively inhibits the multidrug resistance efflux pump P-glycoprotein (MDR-1, EC 3.6.3.44), thereby potentially increasing the effectiveness of a wide range of antineoplastic drugs which are inactivated by MDR-1 mechanisms. Dexverapamil exhibits lower calcium antagonistic activity and toxicity than racemic verapamil.	2.05	1	0	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor
trecadrine trecadrine: structure given in first source	1.99	1	0
eltoprazine eltoprazine: RN given refers to parent cpd; suppresses hyperpolarizing responses to serotonin in rat hippocampus	2.03	1	0
web 2086 WEB 2086: structure given in first source; PAF antagonist	1.99	1	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
repaglinide [no description available]	14.1	66	9	piperidines
telmisartan Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.. telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.	3.84	3	0	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
inogatran inogatran: a direct low molecular weight thrombin inhibitor	2.05	1	0
peroxyformic acid peroxyformic acid: structure	1.97	1	0
lumiflavin lumiflavin : A compound showing yellow-green fluorescence, formed by a photolysis of riboflavin in alkaline solution.	2.39	2	0	flavin
cetiedil cetiedil: RN given refers to parent cpd; structure	3.06	1	0	azepanes
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	2	1	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
naphthalimides Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS.	2.54	2	0
divinyl benzene [no description available]	1.98	1	0	styrenes
n-acetylvaline N-acetylvaline: RN given refers to the (DL)-isomer	1.98	1	0	L-valine derivative; N-acetyl-L-amino acid
benzeneboronic acid [no description available]	2.21	1	0	boronic acids
thiamorpholine thiamorpholine: RN given refers to parent cpd. thiomorpholine : A saturated organic heteromonocyclic parent that is an analogue of morpholine where the oxygen atom is replaced by sulfur.	2.1	1	0	saturated organic heteromonocyclic parent; thiomorpholines
bromosuccinimide Bromosuccinimide: A brominating agent that replaces hydrogen atoms in benzylic or allylic positions. It is used in the oxidation of secondary alcohols to ketones and in controlled low-energy brominations. (From Miall's Dictionary of Chemistry, 5th ed; Hawley's Condensed Chemical Dictionary, 12th ed,).	2.69	3	0	dicarboximide; organobromine compound; pyrrolidinone	reagent
1,2-dianilinoethane 1,2-dianilinoethane: structure	2.04	1	0
4-chlorophenethylamine 4-chlorophenethylamine: RN given refers to parent cpd	2.03	1	0
2,4-diaminopyrimidine 2,6-diaminopyrimidine: structure in first source. pyrimidine-2,4-diamine : An aminopyrimidine in which a pyrimidine nucleus is substituted with amino groups at C-2 and C-4.	1.97	1	0	aminopyrimidine
1,7-phenanthroline [no description available]	3.99	14	0	phenanthroline
benzo-1,2,3-thiadiazole [no description available]	1.96	1	0
bicyclo(3.1.0)hexane [no description available]	2	1	0
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	6.92	28	0	1,2,3-triazole
1h-tetrazole tetrazole : An azaarene that is a five-membered ring composed of 4 nitrogen and 1 carbon atom.. 2H-tetrazole : A tetrazole tautomer where the proton is located on the 2 position.	2.01	1	0	one-carbon compound; tetrazole
pentafluoropropionic anhydride [no description available]	1.97	1	0
azauracil azauracil: minor descriptor (64-72); major descriptor (73-86); on line search URACIL (66-74); URACIL/AA (75-86); INDEX MEDICUS search URACIL (64-72); AZAURACIL (73-86). 6-azauracil : A 1,2,4-triazine compound having oxo-substituents at the 3- and 5-positions.	1.94	1	0	1,2,4-triazines; nucleobase analogue	antimetabolite
formamidine formamidine: RN given refers to parent compound. formamidine : The smallest member of the class of carboxamidines being formic acid with the O and OH groups from the carboxy function replaced by NH and NH2 groups respectively. The parent of the class of formamidines.	1.98	1	0	carboxamidine; formamidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
pinocembrin pinocembrin : A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea.	2.13	1	0	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent
isocoumarins Isocoumarins: Compounds that differ from COUMARINS in having the positions of the ring and ketone oxygens reversed so the keto oxygen is at the 1-position of the molecule.. isocoumarin : The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1.	2.38	2	0	isocoumarins
5-hydroxyflavone [no description available]	2.41	1	0	flavones
phenylacetylglycine phenylacetylglycine : A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group.	2.05	1	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
chloroethylaminouracil chloroethylaminouracil: structure	1.93	1	0
duroquinone tetramethyl-1,4-benzoquinone: structure in first source. duroquinone : A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which all four hydrogens are substituted by methyl groups.	2.03	1	0	1,4-benzoquinones
sesamol sesamol: constituent of sesame oil; RN given refers to parent cpd; structure in first source	7.41	1	0	benzodioxoles
n-acetyltyrosine N-acetyl-L-tyrosine : An N-acetyltyrosine in which the chiral centre has L configuration.	2.41	2	0	N-acetyltyrosine; N-acyl-L-tyrosine	biomarker; EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor; human urinary metabolite
fluorodeoxyglucose f18 Fluorodeoxyglucose F18: The compound is given by intravenous injection to do POSITRON-EMISSION TOMOGRAPHY for the assessment of cerebral and myocardial glucose metabolism in various physiological or pathological states including stroke and myocardial ischemia. It is also employed for the detection of malignant tumors including those of the brain, liver, and thyroid gland. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1162)	3.55	8	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
sertraline Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression.. sertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.	2.72	3	0	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
selfotel selfotel: a N-methyl-D-aspartate (NMDA) antagonist; used to treat stroke-induced impairment	2.02	1	0	non-proteinogenic alpha-amino acid
zoledronic acid Zoledronic Acid: An imidobisphosphonate inhibitor of BONE RESORPTION that is used for the treatment of malignancy-related HYPERCALCEMIA; OSTEITIS DEFORMANS; and OSTEOPOROSIS.. zoledronic acid : An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.	2.15	1	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
mesulergine mesulergine: RN given refers to parent cpd; CU 32-085 is synonymous to mono-HCl; metabolized into dopaminergic agonists; structure given in first source. mesulergine : A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors.	7.39	2	0	ergot alkaloid; sulfamides	antiparkinson drug; dopamine agonist; serotonergic antagonist
glycine amide glycine amide: RN given refers to parent cpd	2.37	2	0	amino acid amide; glycine derivative
3-amino-3-phenylpropionic acid 3-amino-3-phenylpropionic acid: structure given in first source. 3-amino-3-phenylpropanoic acid : A beta-amino acid that is beta-alanine substituted at position 3 by a phenyl group.	3.25	6	0	amino acid zwitterion; beta-amino acid
glycine methyl ester glycine methyl ester: RN given refers to parent cpd. methyl glycinate : A glycinyl ester obtained by the formal condensation of the carboxy group of glycine with methanol.	1.96	1	0	glycinyl ester	metabolite
1,3,5-trimethoxybenzene 1,3,5-trimethoxybenzene : A methoxybenzene carrying methoxy groups at positions 1, 3 and 5. It has been found to be a biomarker of flavonoid consumption in humans.	3.18	1	0	methoxybenzenes	biomarker; human xenobiotic metabolite
beta-hydroxyisovaleric acid 3-hydroxyisovaleric acid : A 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency.	2.69	3	0	3-hydroxy monocarboxylic acid	human metabolite
1,2,3,4-tetrahydroquinoline 1,2,3,4-tetrahydroquinoline: structure in first source. 1,2,3,4-tetrahydroquinoline : A member of the class of quinolines that is the 1,2,3,4-tetrahydro derivative of quinoline.	2.06	1	0	quinolines
resorufin [no description available]	2.05	1	0	phenoxazine
phenylpropiolic acid phenylpropiolic acid: structure. phenylpropiolic acid : An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group.	2.25	1	0	acetylenic compound; alpha,beta-unsaturated monocarboxylic acid; benzenes
glycyl-glycyl-glycyl-glycine [no description available]	2.1	1	0
9-anthraldehyde [no description available]	2.05	1	0
fructose-6-phosphate fructose-6-phosphate: RN given refers to parent cpd with unspecified isomeric designation. fructose 6-phosphate : A ketohexose monophosphate consisting of fructose having a phosphate group located at the 6-position.	1.99	1	0	D-fructose 6-phosphate
acefylline acefylline: RN given refers to parent cpd	2	1	0	oxopurine
trimethylphosphine oxide trimethylphosphine oxide: structure in first source	2.11	1	0
cyclopropylamine cyclopropylamine: RN given refers to parent cpd. cyclopropylamine : A primary aliphatic amine that consists of cyclopropane bearing a single amino substituent.	2.01	1	0	primary aliphatic amine	mouse metabolite
3-chloroperbenzoic acid 3-chloroperbenzoic acid: oxidizing agent	2	1	0	monochlorobenzenes; peroxy acid
ethyl tyrosine ester ethyl tyrosine ester: RN given refers to L-isomer. ethyl L-tyrosinate : An L-tyrosyl ester that is L-tyrosine in which the hydrogen of the carboxy group has been replaced by an ethyl group.	1.97	1	0	ethyl ester; L-tyrosyl ester
leucyltyrosine leucyltyrosine: RN given refers to L-Tyr,L-Leu-isomer; RN for cpd without isomeric designation not avail 4/93	2.4	2	0	dipeptide	metabolite
tyrosyltyrosine tyrosyltyrosine: RN given refers to all-(L)-isomer. tyrosyltyrosine : A dipeptide comprising tyrosine with a tyrosyl residue attached to the alpha-nitrogen.. Tyr-Tyr : Tyrosyltyrosine in which each tyrosine residue has L-configuration.	1.96	1	0	tyrosyltyrosine	Mycoplasma genitalium metabolite
tyrosine methyl ester tyrosine methyl ester: RN given refers to (L)-isomer. methyl L-tyrosinate : An L-tyrosyl ester that is the methyl ester of L-tyrosine.	8.1	5	0	L-tyrosyl ester; methyl ester
carbobenzoxyphenylalanine carbobenzoxyphenylalanine: RN given refers to (L-Phe)-isomer	3.24	6	0
leucyl-glycyl-glycine leucyl-glycyl-glycine: RN given refers to (L-Leu)-isomer. Leu-Gly-Gly : A tripeptide composed of one L-leucine and two glycine residues joined in sequence.	2.4	2	0	tripeptide	metabolite
acetylleucine [no description available]	1.97	1	0	L-leucine derivative; N-acetyl-L-amino acid	metabolite
n-acetylglutamic acid N-acetylglutamic acid: RN given refers to (L)-isomer. N-acetyl-L-glutamic acid : An N-acyl-L-amino acid that is L-glutamic acid in which one of the amine hydrogens is substituted by an acetyl group.	2.01	1	0	N-acetyl-L-amino acid; N-acyl-L-glutamic acid	human metabolite; Saccharomyces cerevisiae metabolite
D-serine [no description available]	2	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
D-alanine [no description available]	2	1	0	alanine zwitterion; alanine; D-alpha-amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite
copper histidine [no description available]	5.41	18	0	D-alpha-amino acid; histidine; polar amino acid zwitterion	Saccharomyces cerevisiae metabolite
D-tyrosine [no description available]	3.46	7	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; tyrosine	Escherichia coli metabolite
nebivolol 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] : A member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group.	2.1	1	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
uk 68798 [no description available]	2.41	2	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
danofloxacin [no description available]	2.1	1	0	quinolines
pirodavir pirodavir: antipicornavirus agent; structure given in first source	2.5	2	0
tyloxapol tyloxapol: non-ionic detergent with surface-active properties; incompatible with metals; surfactant also used in inhalation therapy; N1 is from CA Vol 90 Form Index; N1 in Chemline is same as synonym 8. tyloxapol : A polymeric compound resulting from the reaction of 4-(1,1,3,3-tetramethylbutyl)phenol with formaldehyde to give a chain in which 6-8 molecules are linked together by CH2 groups ortho to the phenolic hydroxy groups, which have then undergone reaction with oxirane to give polyoxyethyleneoxy moieties, Ar(OCH2CH2)xOH, where x = 8-10. A nonionic liquic polymer, it inhibits lipoprotein lipase and hence clearance of triglyceride from the plasma, so is used to induce hyperlipidaemia in test animals. Also used as a surfactant to aid liquefaction and removal of mucus- and pus-containing bronchopulmonary secretions.	1.96	1	0
masoprocol Masoprocol: A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils.. masoprocol : The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase.	2.43	2	0	nordihydroguaiaretic acid	antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite
tocophersolan tocophersolan: RN given refers to parent cpd	2.15	1	0	tocol
azamethiphos [no description available]	2.13	1	0	organic thiophosphate; organochlorine acaricide; organochlorine insecticide; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
D-valine D-valine : The D-enantiomer of valine.	2.17	1	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; valine
voriconazole Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A.. voriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.	2.07	1	0	conazole antifungal drug; difluorobenzene; pyrimidines; tertiary alcohol; triazole antifungal drug	P450 inhibitor
bufuralol bufuralol: RN given refers to cpd without isomeric designation; structure	7.02	1	0	benzofurans
carazolol carazolol: RN given refers to parent cpd without isomeric designation; structure	2.1	1	0	carbazoles
aceclofenac [no description available]	2.05	1	0	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
octylonium octylonium: RN given refers to bromide; structure	3.25	1	0	benzamides
ubenimex ubenimex: growth inhibitor	4.15	6	0
epicatechin (-)-epicatechin : A catechin with (2R,3R)-configuration.	2.41	1	0	catechin; polyphenol	antioxidant
6-hydroxyflavone 6-hydroxyflavone: antioxidant; structure in first source	2.41	1	0	hydroxyflavonoid
methotrimeprazine Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively.	2.38	2	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
betulin betulin: isolated from various white birch bark (BETULA). betulin : A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.	7.15	1	0	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite
narciclasine narciclasine: antitumor alkaloid from bulbs of Narcissus species	1.95	1	0	phenanthridines	metabolite
leupeptin [no description available]	2.39	2	0	aldehyde; tripeptide	bacterial metabolite; calpain inhibitor; cathepsin B inhibitor; EC 3.4.21.4 (trypsin) inhibitor; serine protease inhibitor
oleandomycin [no description available]	2.1	1	0	oleandomycins
alkannin alkannin: a naphthazarin used to promote wound healing, from the plant Alkanna tinctoria; RN given refers to (S)-isomer; structure	2.41	1	0	hydroxy-1,4-naphthoquinone
bathophenanthroline 4,7-diphenyl-1,10-phenanthroline : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7.	1.98	1	0	benzenes; phenanthrolines	chelator
3-cresol purple 3-cresol purple: structure given in first source	2	1	0
serpentine (alkaloid) serpentine (alkaloid): do not confuse with mineral serpentine; RN given refers to (19alpha)-isomer; structure	2	1	0	carboxylic ester; iminium betaine; indole alkaloid; quinolizines; zwitterion
tosyllysine chloromethyl ketone Tosyllysine Chloromethyl Ketone: An inhibitor of SERINE ENDOPEPTIDASES. Acts as an alkylating agent and is known to interfere with the translation process.	3.07	5	0	sulfonic acid derivative
rebeccamycin rebeccamycin: from actinomycete strain C-38,383; structure given in first source. rebeccamycin : An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens.	2	1	0	indolocarbazole; N-glycosyl compound; organic heterohexacyclic compound; organochlorine compound
beta-amyrin beta-amyrin: alpha-amyrin is also available; a 5 ring triterpene derived from oleanane that differs from alpha-amyrin in having the 29-carbon at the 20 position; RN given refers to (3 beta)-isomer. beta-amyrin : A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants.	2.1	1	0	pentacyclic triterpenoid; secondary alcohol	Aspergillus metabolite; plant metabolite
xanthosine 5'-triphosphate xanthosine 5'-phosphate : xanthosine phosphate compounds having phosphate groups at position 5'.. 5'-xanthylic acid : A purine ribonucleoside 5'-monophosphate having xanthine as the nucleobase.	2.41	2	0	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source	2.11	1	0	harmala alkaloid
5-benzylhydantoin 5-benzylhydantoin: structure given in first source	2.75	3	0
2,2'-dipicolylamine 2,2'-dipicolylamine: structure in first source	2.05	1	0
oxazolidin-2-one Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups.	2.44	2	0	carbamate ester; oxazolidinone	metabolite
ceric oxide ceric oxide: RN given refers to cpd with MF CeO2. ceric oxide : A metal oxide with formula CeO2. It is used for polishing glass, in coatings for infra-red filters to prevent reflection, and as an oxidant and catalyst in organic synthesis.	2.15	1	0	cerium molecular entity; metal oxide
4-iodophenoxyacetic acid 4-iodophenoxyacetic acid: structure in first source	1.96	1	0
tetrahexylammonium tetrahexylammonium: RN given refers to parent cpd	2.02	1	0
2-naphthylamide naphthalene-2-carboxamide: structure in first source. naphthalene-2-carboxamide : A naphthalenecarboxamide resulting from the formal condensation of the carboxy group of 2-naphthoic acid with ammonia.	2.31	1	0	naphthalenecarboxamide
2-(methylamino)isobutyric acid alpha-(methylamino)isobutyric acid : A non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group.	3.49	8	0	alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound	human urinary metabolite
phenylalanyl-phenylalanyl-phenylalanine phenylalanyl-phenylalanyl-phenylalanine: RN given refers to all (L)-isomer	2.52	2	0	oligopeptide
5-methoxysalicylic acid 5-methoxysalicylic acid: enhances intestinal absorption of insulin in rats; RN given refers to parent cpd. 5-methoxysalicylic acid : A methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5.	1.96	1	0	methoxysalicylic acid	bacterial metabolite; human urinary metabolite
4-nitrophenyl butyrate p-nitrophenyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid.	2.49	2	0	butyrate ester; C-nitro compound
2-(2-aminoethyl)pyridine 2-(2-aminoethyl)pyridine: histamine H1 receptor agonist inducing cross-tolerance to histamine; RN given refers to parent cpd; structure	4.19	16	0	aminoalkylpyridine; primary amine	histamine agonist; metabolite
2-aminoindan [no description available]	1.97	1	0
3-(4-methoxybenzoyl)propionic acid 3-(4-methoxybenzoyl)propionic acid: a selectin inhibitor	2.1	1	0
dimethylaminopropanol dimethylaminopropanol: dimethylamine precursor	2.1	1	0
leucylleucine Leu-Leu : A dipeptide formed from two L-leucine residues.	2.4	2	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human metabolite; Mycoplasma genitalium metabolite
phenylalanylleucine phenylalanylleucine: RN given refers to (L)-isomer	1.97	1	0	dipeptide zwitterion; dipeptide	plant metabolite
benzoyltyrosine ethyl ester ethyl N-benzoyl-L-tyrosinate : An L-tyrosine derivative that is the ethyl ester of N-benzoyltyrosine.	2.39	2	0	benzamides; ethyl ester; L-tyrosine derivative; phenols	chromogenic compound
monomethyl succinate monomethyl succinate: RN given refers to parent cpd. monomethyl succinate : A dicarboxylic acid monoester that is succinic acid in which one of the carboxy groups has been converted to its methyl ester.	1.98	1	0	dicarboxylic acid monoester; hemisuccinate
methyl tryptophan, (l-trp)-isomer [no description available]	2.68	3	0
rivastigmine [no description available]	2.1	1	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
rosiglitazone [no description available]	7.14	11	1	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
2-(n-morpholino)ethanesulfonic acid 2-(N-morpholino)ethanesulfonic acid: RN given refers to parent cpd. 2-(N-morpholino)ethanesulfonic acid : A Good's buffer substance, pKa = 6.15 at 20 degreeC.	2.46	2	0	MES; organosulfonic acid; zwitterion
azidotrimethylsilane azidotrimethylsilane: structure in first source	2.1	1	0
2-hydrazinopyridine [no description available]	2.42	2	0
valinol valinol: RN given refers to cpd without isomeric designation	2.01	1	0	amino alcohol
phenylglycine chloride phenylglycine chloride: RN given refers to cpd without isomeric designation	2.48	2	0
n-hydroxysuccinimide N-hydroxysuccinimide: structure	1.95	1	0
tetraconazole tetraconazole : A racemate comprising equal amounts of (R)- and (S)-tetraconazole. A fungicide used to control a range of fungal infections including powdery mildew, rusts, bunt, loose smut and scab.. 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole : A member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl group.	2.25	1	0	dichlorobenzene; ether; organofluorine compound; triazoles
leucyl-alanine Leu-Ala : A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage.	2.4	2	0	dipeptide	metabolite
tryptophan ethyl ester tryptophan ethyl ester: RN given refers to (DL)-isomer	1.97	1	0
leucyl-leucyl-leucine leucyl-leucyl-leucine: RN given refers to (L-Leu-L-Leu-L-Leu)-isomer. Leu-Leu-Leu : A tripeptide formed from three L-leucine residues.	2.4	2	0	tripeptide	metabolite
tert-butyloxycarbonyltryptophan tert-butyloxycarbonyltryptophan: RN given refers to (L)-isomer	1.96	1	0	indolyl carboxylic acid
4-phenylbutylamine 4-phenylbutylamine: used as a drug partition into lipid bilayers in a cubic liquid-crystalline phase. 4-phenylbutylamine : A phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group.	2.1	1	0	benzenes; phenylalkylamine; primary amino compound
sarcosine methyl ester sarcosine methyl ester: RN given refers to parent cpd	2.41	2	0
d-aspartic acid [no description available]	2.82	3	0	aspartic acid; D-alpha-amino acid	mouse metabolite
clarithromycin Clarithromycin: A semisynthetic macrolide antibiotic derived from ERYTHROMYCIN that is active against a variety of microorganisms. It can inhibit PROTEIN SYNTHESIS in BACTERIA by reversibly binding to the 50S ribosomal subunits. This inhibits the translocation of aminoacyl transfer-RNA and prevents peptide chain elongation.. clarithromycin : The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis.	2.1	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
2-methoxy-5-nitrotropone 2-methoxy-5-nitrotropone: reagent specific for primary amino groups	1.95	1	0
zwittergent 3-12 zwittergent 3-12: zwitterionic detergent. lauryl sulfobetaine : An ammonium betaine in which the ammonium nitrogen is substituted by dodecyl, 3-sulfatopropyl and two methyl groups.	1.96	1	0	ammonium betaine	detergent
nitrosonium ion nitrosonium ion: a nitric oxide congener. oxidonitrogen(1+) : A monovalent inorganic cation resulting from the removal of the unpaired electron from nitric oxide.	2.08	1	0	monovalent inorganic cation; nitrogen oxide
bromates Bromates: Negative ions or salts derived from bromic acid, HBrO3.	1.95	1	0	bromine oxoanion; monovalent inorganic anion
3-chloromandelic acid [no description available]	2.11	1	0
mepanipyrim mepanipyrim : A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying additional methyl and 1-propynyl substituents at positions 4 and 6 respectively. A fungicide used to control a wide range of diseases including grey mould on strawberries, tomatoes and cucumabers, and scab on apples and pears.	2.25	1	0	acetylenic compound; aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; hepatotoxic agent
s-methyl benzo(1,2,3)thiadiazole-7-carbothioate S-methyl benzo(1,2,3)thiadiazole-7-carbothioate: induces system acquired resistance in wheat; structure in first source. acibenzolar-S-methyl : A benzothiadiazole that is the S-methyl thioester derivative of acibenzolar. A profungicide (by hydrolysis of the thioester group to give the corresponding carboxylic acid), it is used as a fungicide and plant activator on a variety of crops, including cotton, chili peppers, lettuce, onions, spinach, tobacco, and tomatoes.	2.6	1	0	benzothiadiazole; thioester	antifungal agrochemical; plant activator; profungicide
n-benzylglycine [no description available]	7	1	0
tyrosylleucine [no description available]	1.97	1	0	dipeptide	metabolite
4-methylumbelliferyl heptanoate [no description available]	2.03	1	0
coenzyme a [no description available]	4.11	16	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
glycinexylidide glycinexylidide: dealkylated metabolite of lidocaine; structure; RN given refers to parent cpd with dimethylphenyl moiety in positions 2,6. glycinexylidide : A amino acid amide with 2,6-dimethylaniline and glycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function.	2.1	1	0	amino acid amide	drug metabolite
n-acetylalanine N-acetylalanine: immunodominant determinant of acidic surface antigen from culture filtrate of human strain of Staph aureus. N-acetyl-L-alanine : An N-acetyl-L-amino acid that is L-alanine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group.	2.01	1	0	L-alanine derivative; N-acetyl-L-amino acid	human metabolite; Saccharomyces cerevisiae metabolite
4-methyl-4-sulfanylpentan-2-one 4-methyl-4-sulfanylpentan-2-one: a varietal aroma compound of Vitis vinifera; structure in first source. 4-mercapto-4-methylpentan-2-one : An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.	2.07	1	0	alkanethiol; methyl ketone	plant metabolite; Saccharomyces cerevisiae metabolite
Trp-Trp tryptophyltryptophan: an antigelation agent. Trp-Trp : A dipeptide formed from two L-tryptophan residues.	2.41	2	0	dipeptide	Mycoplasma genitalium metabolite
kampirone 1-(2-pyrimidinyl)piperazine: metabolite of buspirone; structure given in first source	2.1	1	0	N-arylpiperazine
n-acetyltyrosine, (dl)-isomer N-acetyltyrosine: RN given refers to (L)-isomer. N-acetyltyrosine : An N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group.	3.07	5	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	5.66	15	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
fibrinogen Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.	8.15	37	3	iditol	fungal metabolite
l-pyrrolidonyl-beta-naphthylamide [no description available]	1.98	1	0
2-thienylalanine 2-thienylalanine: potent inhibitor of phenylalanine absorption in intestine which promotes its excretion by the kidney; minor descriptor (75-85); on-line & Index Medicus search ALANINE/AA (75-85); RN given refers to parent cpd without isomeric designation	3.45	8	0
equol Equol: A non-steroidal ESTROGEN generated when soybean products are metabolized by certain bacteria in the intestines.	2.41	1	0	hydroxyisoflavans
2-tyrosine 2-tyrosine: RN given refers to cpd with unspecified isomeric designation. o-tyrosine : A racemate comprising equimolar amounts of D- and L-o-tyrosine.. 2-hydroxyphenylalanine : A phenylalanine derivative that is phenylalanine carrying a hydroxy substituent at position 2 on the benzene ring.	8.37	13	1	non-proteinogenic alpha-amino acid; phenols; phenylalanine derivative
cadmium telluride cadmium telluride: used in radiation monitoring device	2.11	1	0
3,4-dihydroxyphenylglycol 3,4-dihydroxyphenylglycol: noradrenaline metabolite in mouse brain; RN given refers to cpd without isomeric designation. 3,4-dihydroxyphenylethyleneglycol : A tetrol composed of ethyleneglycol having a 3,4-dihydroxyphenyl group at the 1-position.	2.39	2	0	catechols; tetrol	metabolite; mouse metabolite
homocysteine Homocysteine: A thiol-containing amino acid formed by a demethylation of METHIONINE.. homocysteine : A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.. L-homocysteine : A homocysteine that has L configuration.	6.8	26	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
alpha,beta-methyleneadenosine 5'-triphosphate alpha,beta-methyleneadenosine 5'-triphosphate: do not confuse with beta,gamma-methylene ATP; RN given refers to parent cpd	2.07	1	0	nucleoside triphosphate analogue
methylglucoside [no description available]	2.67	3	0
gliquidone gliquidone: structure; RN given refers to parent cpd	2.03	1	0	isoquinolines
3,4-dihydroxybenzylamine 3,4-dihydroxybenzylamine: RN given refers to parent cpd; structure	2.13	1	0	catechols
8-((4-chlorophenyl)thio)cyclic-3',5'-amp 8-((4-chlorophenyl)thio)cyclic-3',5'-AMP: lowers cAMP in heart & fat cells; cAMP-dependent kinase inhibitor. 8-(4-chlorophenylthio)-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group.	2	1	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; aryl sulfide; organochlorine compound	protein kinase agonist
4-n,n-dimethylaminoazobenzene-4'-sulfonyl chloride 4-N,N-dimethylaminoazobenzene-4'-sulfonyl chloride: chromophoric labelling reagent for amino acids, peptides, proteins; structure	1.95	1	0
sulcotrione sulcotrione: a bleaching herbicide. sulcotrione : An aromatic ketone that is cyclohexane-1,3-dione substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group at position 2.	2.21	1	0	aromatic ketone; beta-triketone; cyclohexanones; sulfone	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
3-fluorotyrosine 3-fluorotyrosine: RN given refers to cpd without isomeric designation	2.38	2	0	fluoroamino acid; fluorophenol; non-proteinogenic alpha-amino acid; tyrosine derivative
1-methylhistidine 1-methylhistidine: found in muscle proteins; RN given refers to (L)-isomer. 1-methylhistidine : A methylhistidine in which the methyl group is located at N-1.. N(tele)-methyl-L-histidine : A L-histidine derivative in which the methyl group is at N(tele)-position.	2.73	3	0	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite
4-hydroxyphenylglycine 4-hydroxyphenylglycine : A glycine molecule carrying a 4-hydroxyphenyl substituent.	2.41	1	0	hydroxy-amino acid	bacterial metabolite
acetoacetyl coa [no description available]	2.03	1	0	3-oxo-fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
glycyltryptophan glycyltryptophan: RN given refers to (L)-isomer. Gly-Trp : A dipeptide formed from glycine and L-tryptophan residues.	2.4	2	0	dipeptide	metabolite
adenosine 5'-methylenediphosphate [no description available]	1.99	1	0	nucleoside diphosphate analogue
D-dopa D-dopa : The D-enantiomer of dopa.	4.19	16	0	amino acid zwitterion; D-tyrosine derivative; dopa
4-nitrostyrene oxide 4-nitrostyrene oxide: chemical alkylating agent ; structure given in first source	2.04	1	0
triazolealanine triazolealanine: RN given refers to parent cpd. triazolealanine : A non-proteinogenic alpha-amino acid that is alanine in which one of the methyl hydrogens is replaced by a 1,2,4-triazol-3-yl group.	2.37	2	0	non-proteinogenic alpha-amino acid; triazoles
fluoromisonidazole [no description available]	3.21	1	0
phenylacetylglutamine N(2)-phenylacetyl-L-glutamine : An a N(2)-phenylacetylglutamine having L-configuration.	2.37	2	0	N(2)-phenylacetylglutamine	human metabolite
lekoptin (S)-verapamil : A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.	2.05	1	0	2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
n-(3-pyrene)maleimide N-(3-pyrene)maleimide: structure in first source	2	1	0
mci 9038 [no description available]	3.8	3	0	peptide
lopinavir [no description available]	2.05	1	0	amphetamines; dicarboxylic acid diamide	anticoronaviral agent; antiviral drug; HIV protease inhibitor
1-(4'-nitrophenyl)-2-aminopropane-1,3-diol 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol: chloramphenicol minus dichloroacetamide side chain; RN given refers to cpd without isomeric designation	1.93	1	0
propionyl-coenzyme a propionyl-coenzyme A: RN given refers to parent cpd	1.97	1	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
cryptopleurine cryptopleurine: plant bark alkaloid shown to inhibit protein synthesis; RN given refers to (R)-isomer; structure. cryptopleurine : An organic heteropentacyclic compound that is (14aR)-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups.	1.95	1	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor
alpha-hydroxyisocaproic acid alpha-hydroxyisocaproic acid: alpha-hydroxy analog of leucine; RN given refers to cpd without isomeric designation. 2-hydroxy-4-methylvaleric acid : A valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in a patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome.	2.37	2	0	2-hydroxy fatty acid; branched-chain fatty acid	metabolite
brexanolone brexanolone: a mixture of allopregnanolone and sulfobutylether‐beta‐cyclodextrin for treatment of postpartum depression. brexanolone : A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women.	2.21	1	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
glycyltyrosine Gly-Tyr : A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage.	5.67	7	1	dipeptide	metabolite
n-epsilon-acetyllysine N(6)-acetyl-L-lysine : An N(6)-acyl-L-lysine where the N(6)-acyl group is specified as acetyl.	1.99	1	0	acetyl-L-lysine; amino acid zwitterion; N(6)-acyl-L-lysine	human metabolite
glycylleucine Gly-Leu : A dipeptide composed of glycine and L-leucine joined by a peptide linkage.	2.4	2	0	dipeptide zwitterion; dipeptide	metabolite
5-methyltryptophan 5-methyltryptophan: RN given refers to cpd without isomeric designation. 5-methyltryptophan : A tryptophan derivative that is tryptophan substituted by a methyl group at position 5 of the indole ring.	2.37	2	0	non-proteinogenic alpha-amino acid; tryptophan derivative
histidine methyl ester histidine methyl ester: RN given refers to (L)-isomer; structure given in first source. histidine methyl ester : An alpha-amino acid ester that is the methyl ester of histidine.	2.69	3	0	histidine derivative
indole-3-lactic acid indole-3-lactic acid: RN given refers to cpd without isomeric designation. 3-(indol-3-yl)lactic acid : A hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan.	2.81	3	0	hydroxy monocarboxylic acid; indol-3-yl carboxylic acid	human metabolite
n(alpha)-acetyllysine N(alpha)-acetyllysine: RN given refers to (L)-isomer. acetyl-L-lysine : An N-acetyl-L-amino acid that is the N-acetyl derivative of L-lysine.. N(2)-acetyl-L-lysine : An acetyl-L-lysine where the acetyl group is located at the N(2)-posiiton.	2.13	1	0	acetyl-L-lysine; amino acid zwitterion	human metabolite
arginine methyl ester arginine methyl ester: RN given refers to (L)-isomer	2.96	1	0	alpha-amino acid ester
firefly luciferin Firefly Luciferin: A benzothaizole which is oxidized by LUCIFERASES, FIREFLY to cause emission of light (LUMINESCENCE).. Photinus luciferin : A 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position.	1.98	1	0	1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate	luciferin
glycyl-l-phenylalanine glycylphenylalanine: RN given refers to (DL)-isomer. Gly-Phe : A dipeptide formed from glycine and L-phenylalanine residues.	8.99	14	0	dipeptide zwitterion; dipeptide	human metabolite; metabolite
beta-hydroxyphenylpropionic acid beta-hydroxyphenylpropionic acid: benzoic acid metabolite in urine. 3-hydroxy-3-phenylpropionic acid : A 3-hydroxy carboxylic acid that is 3-phenylpropionic acid in which one of the hydrogens beta to the carboxy group is replaced by a hydroxy group.	2.01	1	0	3-hydroxy carboxylic acid; monocarboxylic acid
droxidopa Droxidopa: A synthetic precursor of norepinephrine that is used in the treatment of PARKINSONIAN DISORDERS and ORTHOSTATIC HYPOTENSION.. droxidopa : A serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension	2	1	0	catechols; L-tyrosine derivative	antihypertensive agent; prodrug; vasoconstrictor agent
isopelletierine isopelletierine: RN given refers to cpd without isomeric designation; synonym pelletierine refers to (-)-isomer	2.1	1	0	citraconoyl group
glutamic acid dimethyl ester glutamic acid dimethyl ester: RN given refers to (L)-isomer	2.39	2	0	glutamic acid derivative
glycidyl nitrate glycidyl nitrate: a nitric oxide donor; structure in first source. peptidoglycan : A peptidoglycosaminoglycan formed by alternating residues of beta-(1->4)-linked N-acetylglucosamine and N-acetylmuramic acid {2-amino-3-O-[(S)-1-carboxyethyl]-2-deoxy-D-glucose} residues. Attached to the carboxy group of the muramic acid is a peptide chain of three to five amino acids.	4.34	6	0
aspartyl-phenylalanine aspartyl-phenylalanine: metabolite of aspartame; may inhibit angiotensin converting enzyme; RN given refers to all (L)-isomer	3.08	5	0	dipeptide	human blood serum metabolite; human xenobiotic metabolite
irganox 3114 Irganox 3114: structure in first source	2.1	1	0
n-(9h-(fluoren-9-ylmethoxy)carbonyl)glycine N-(9H-(fluoren-9-ylmethoxy)carbonyl)glycine: in contrast to a closely related analog NPC 15669, this compound is inactive as an inhibitor of neutrophil recruitment	2.02	1	0
glycylsarcosine glycylsarcosine : A dipeptide obtained by formal condensation of the carboxy group of glycine with the amino group of sarcosine.	2.92	4	0	dipeptide zwitterion; dipeptide
fenpropimorph [no description available]	2.1	1	0	alkylbenzene
beta-hydroxyphenylalanine beta-hydroxyphenylalanine: RN given refers to beta cpd	4.43	23	0
arabitol arabitol: RN given refers to cpd without isomeric designation. arabinitol : A pentitol that is the sugar alcohol produced by the reduction of arabinose or lyxose. It is found in serum or urine of human infected with Candida albicans.. D-arabinitol : The D-enantiomer of arabinitol.	2.17	1	0	arabinitol
n-acetylphenylalanine ethyl ester N-acetylphenylalanine ethyl ester: RN given refers to (L)-isomer	3.59	9	0
n-acetyltryptophanamide [no description available]	2.91	4	0	acetamides; L-tryptophan derivative; primary carboxamide; secondary carboxamide
leucylleucine leucylleucine: RN given refers to (DL-Leu-DL-Leu)-isomer	2.97	4	0	peptide
pyrimidine dimers Pyrimidine Dimers: Dimers found in DNA chains damaged by ULTRAVIOLET RAYS. They consist of two adjacent PYRIMIDINE NUCLEOTIDES, usually THYMINE nucleotides, in which the pyrimidine residues are covalently joined by a cyclobutane ring. These dimers block DNA REPLICATION.	2.41	2	0
gamma-glutamyltyrosine gamma-glutamyltyrosine: RN given refers to (L)-isomer. gamma-Glu-Tyr : A dipeptide composed of L-glutamic acid and L-tyrosine joined by a peptide linkage.	2.64	3	0	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite
dehydroabietic acid dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.	2.1	1	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
dansyl hydrazine [no description available]	1.95	1	0
1-(2-pyridinyl)piperazine 1-(2-pyridinyl)piperazine: metabolite of buspirone & gepirone	2.1	1	0
bursehernin bursehernin: a dibenzylbutyrolactone found in PODOPHYLLIN; analog of podorhizol; RN & N1 from CA Vol 90 Form Index; structure in first source. (-)-bursehernin : A butan-4-olide that is (-)-pluviatolide in which the phenolic hydroxy group has been converted to the corresponding methyl ether.	2.01	1	0	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite
glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.	3.74	10	0	D-glucuronic acid	algal metabolite
isovaline isovaline: RN given refers to parent cpd(L)-isomer	2.08	1	0
1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid: used as a substitute for amino acids in synthetic peptides	8.51	2	0
2,2-dimethyl-beta-alanine [no description available]	3.6	9	0
glyoxal bis(2-hydroxyanil) glyoxal bis(2-hydroxyanil): structure	2.07	1	0
phosphoramide mustard [no description available]	2.03	1	0	nitrogen mustard; phosphorodiamide
6-amino-7-chloro-5,8-dioxoquinoline 6-amino-7-chloro-5,8-dioxoquinoline: quinone structure important in this cpd; structure	1.95	1	0
nitrophenylgalactosides Nitrophenylgalactosides: Includes ortho-, meta-, and para-nitrophenylgalactosides.. 2-nitrophenyl beta-D-galactoside : A beta-D-galactoside having a 2-nitrophenyl substituent at the anomeric position.	2.44	2	0	beta-D-galactoside; C-nitro compound	chromogenic compound
alanylphenylalanine alanylphenylalanine: RN given refers to (L-Ala-L-PheAla)-isomer	2.71	3	0	dipeptide	metabolite
glycyl-leucyl-tyrosine glycyl-leucyl-tyrosine: structure given in first source	2.4	2	0	oligopeptide
glycyl-glycyl-proline Gly-Gly-Pro : A tripeptide composed of glycine, glycine and L-proline amino acids joined in sequence by peptide linkages.	2.05	1	0	tripeptide zwitterion; tripeptide
o-methyltyrosine O-methyltyrosine: RN given refers to parent cpd without isomeric designation. O-methyltyrosine : A tyrosine derivative that is tyrosine in which the hydroxy group at position 4 of the phenyl ring is substituted by a methoxy group.	2.69	3	0	monomethoxybenzene; tyrosine derivative
glycylaspartic acid glycylaspartic acid: RN given refers to (L)-isomer	2.05	1	0	dipeptide	metabolite
benzoylphenylalanine N-benzoyl-L-phenylalanine : An N-acyl-L-phenylalanine that is L-phenylalanine in which one of the hydrogens of the amino group has been replaced by a benzoyl group.	6.6	65	0	2-(benzoylamino)-3-phenylpropanoic acid; N-acyl-L-phenylalanine
glycyl-histidyl-glycine [no description available]	2.05	1	0	oligopeptide
hexylglutathione S-hexylglutathione : An S-substituted glutathione that is glutathione in which the hydrogen of the thiol has been replaced by a hexyl group (PDB entry: 1PN9).	2.02	1	0	S-substituted glutathione
1-amino-2-phenylethylphosphonic acid 1-amino-2-phenylethylphosphonic acid: RN given refers to cpd without isomeric designation: structure given in first source	4.5	4	0
2-chloromandelic acid 2-chloromandelic acid: structure in first source	2.11	1	0
1-(2-nitrophenyl)ethanol [no description available]	2.03	1	0
n-(hippuryl)phenylalanine N-(hippuryl)phenylalanine: RN given for (L)-isomer	3.08	5	0
n-acetylphenylalanine beta-naphthyl ester N-acetylphenylalanine beta-naphthyl ester: substrate for chymotrypsin; RN given refers to (DL)-isomer. beta-naphthyl N-acetylphenylalaninate : An alpha-amino acid ester obtained by the fromal condensation of N-acetylphenylalanine with 2-naphthol.	3.49	8	0	alpha-amino acid ester; phenylalanine derivative
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: structure given in first source; RN given refers to cpd without isomeric designation. 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid : A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group.	2.11	1	0	alpha-amino acid; aromatic amino acid; beta-carboline alkaloid	human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite
n-glycylglutamic acid N-glycylglutamic acid: RN given refers to (L)-isomer. Gly-Glu : A dipeptide formed from glycyl and L-glutamic acid residues.	2.05	1	0	dipeptide	metabolite
n-caproylglycine N-hexanoylglycine : An N-acylglycine in which the acyl group is specified as hexanoyl.	1.98	1	0	N-acylglycine	metabolite
n-succinimidyl-3-(4-hydroxyphenyl)propionate N-succinimidyl-3-(4-hydroxyphenyl)propionate: acylates free amino groups on proteins	2.4	2	0
phenylacetaldoxime phenylacetaldehyde oxime : An aldoxime resulting from the formal condensation of the aldehyde moiety of phenylacetaldehyde with hydroxylamine.	7.77	3	0	aldoxime
at 1258 nitrocaphane: structure	2.36	2	0
n-benzyloxycarbonylphenylalanyl-valine [no description available]	1.98	1	0
n-acetylphenylalanyl-3,5-diiodotyrosine N-acetylphenylalanyl-3,5-diiodotyrosine: substrate for pepsin; RN given refers to (L)-isomer	1.95	1	0
combretastatin combretastatin: cytotoxic principle from South African tree COMBRETUM caffrum; structure given in first source; acts at COLCHICINE site of TUBULIN	2.07	1	0
serine hydroxamate serine hydroxamate: RN given refers to (L)-isomer. serine hydroxamate : A hydroxamic acid obtained by formal condensation of the carboxy group of serine with the amino group of hydroxylamine.	1.96	1	0	hydroxamic acid; serine derivative	EC 6.1.1.11 (serine--tRNA ligase) inhibitor
benzyloxycarbonyltryptophan benzyloxycarbonyltryptophan: receptor antagonist for peptides from gastrin family; RN given refers to (L)-isomer	2.4	2	0
histidylglycine histidylglycine: RN given refers to all (L)-isomer. His-Gly : A dipeptide formed from L-histidine and glycine residues.	2.05	1	0	dipeptide	metabolite
4-fluorotryptophan 4-fluorotryptophan: RN given refers to cpd without isomeric designation	1.98	1	0
cyclopenol cyclopenol: RN given refers to cis-(-)-isomer	2.39	2	0
beta-(4-fluorobenzoyl)propionic acid beta-(4-fluorobenzoyl)propionic acid: structure given in first source	2.13	1	0	aromatic ketone
glycylleucine glycylleucine: RN given refers to (L)-isomer	1.96	1	0
phenylalanine-beta-naphthylamide phenylalanine-beta-naphthylamide: RN given for (S)-isomer. L-phenylalanine 2-naphthylamide : An L-phenylalanine derivative that is the amide obtained by formal condensation of the carboxy group of L-phenylalanine with the amino group of 2-naphthylamine.	3.14	5	0	amino acid amide; L-phenylalanine derivative; N-(2-naphthyl)carboxamide	chromogenic compound
2-amino-4-phenylbutyric acid 2-amino-4-phenylbutanoic acid: structure in first source	3.29	6	0
benzylamphetamine norbenzphetamine: RN given refers to parent cpd; structure	2.03	1	0
dansyl asparagine dansyl asparagine: used as reagent for preparing dansyl derivatives for fluorescence monitoring	2.06	1	0
l-phenylalanine ethylester L-phenylalanine ethylester: structure in first source	3.8	11	0
suphepa Suphepa: used for the determination of chymotrypsin in stools in diagnosis of pancreatic disease	3.8	11	0
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid : A dihydroxy monocarboxylic acid that is 3-hydroxypropanoic acid substituted by a 3-hydroxyphenyl group at position 3.	2.05	1	0	dihydroxy monocarboxylic acid; phenols	human urinary metabolite
cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27.	5.52	69	0	cobalt group element atom; metal allergen	micronutrient
p-methoxy-n-methylphenethylamine p-Methoxy-N-methylphenethylamine: A potent mast cell degranulator. It is involved in histamine release.. N,O-dimethyltyramine : A secondary amino compound that is tyramine in which the hydrogen of the phenolic hydroxy group has been replaced by a methyl group.	2.36	2	0	aromatic ether; secondary amino compound	metabolite
fulvestrant Fulvestrant: An estradiol derivative and estrogen receptor antagonist that is used for the treatment of estrogen receptor-positive, locally advanced or metastatic breast cancer.. fulvestrant : A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer.	2.1	1	0	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist
mizoribine [no description available]	2.02	1	0	imidazoles	anticoronaviral agent
chlorates Chlorates: Inorganic salts of chloric acid that contain the ClO3- ion.	2.35	2	0	chlorine oxoanion; monovalent inorganic anion
carbidopa, levodopa drug combination [no description available]	3.42	1	1
enkephalin, d-penicillamine (2,5)- Enkephalin, D-Penicillamine (2,5)-: A disulfide opioid pentapeptide that selectively binds to the DELTA OPIOID RECEPTOR. It possesses antinociceptive activity.. DPDPE : A heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond.	2.9	4	0	heterodetic cyclic peptide	delta-opioid receptor agonist
u 73122 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione: structure given in first source. U-73122 : An aza-steroid that is 3-O-methyl-17beta-estradiol in which the 17beta-hydroxy group is replaced by a 6-(maleimid-1-yl)hexylamino group. An inibitor of phospholipase C.	2.44	2	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
arginyl-glycyl-aspartic acid arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system	3.11	5	0	oligopeptide
vitamin b 6 Vitamin B 6: VITAMIN B 6 refers to several PICOLINES (especially PYRIDOXINE; PYRIDOXAL; & PYRIDOXAMINE) that are efficiently converted by the body to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, and aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into PYRIDOXAMINE phosphate. Although pyridoxine and Vitamin B 6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading (EE Snell; Ann NY Acad Sci, vol 585 pg 1, 1990). Most of vitamin B6 is eventually degraded to PYRIDOXIC ACID and excreted in the urine.	3.36	7	0
1,4-dihydropyridine [no description available]	2.41	2	0
s-nitrosoglutathione [no description available]	2.02	1	0	glutathione derivative; nitrosothio compound	bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule
acrylodan [no description available]	2	1	0
diacetyldichlorofluorescein diacetyldichlorofluorescein: stable storage form of dichlorofluorescein	2.47	2	0
sr 48968 SR 48968: structure given in first source; neurokinin A antagonist; tachykinin receptor antagonist; SR 48965 is the inactive R-enantiomer of SR 48968	1.98	1	0
beauvericin beauvericin: 18-membered cyclodepsipeptides. beauvericin : A trimeric cyclodepsipeptide composed from alternating methylphenylalanyl and hydroxyvaleryl residues.	1.96	1	0
fructose 2,6-diphosphate fructose 2,6-diphosphate: phosphofructokinase activator synthesized via Mg-ATP & fructose-6-P. beta-D-fructofuranose 2,6-bisphosphate : A D-fructofuranose 2,6-bisphosphate with a beta-configuration at the anomeric centre.	1.99	1	0	D-fructofuranose 2,6-bisphosphate	human metabolite; mouse metabolite
cyanates Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).	4.55	8	0
bradykinin, des-arg(9)- bradykinin, des-Arg(9)-: RN given refers to parent cpd	2.38	2	0	oligopeptide	bradykinin receptor B2 agonist
fura-2-am fura-2-am: pentaester precursor of fura-2	2.01	1	0
valylvaline valylvaline: RN given refers to (L)-isomer. Val-Val : A dipeptide formed from two L-valine residues.	2.4	2	0	dipeptide	Mycoplasma genitalium metabolite
methyllycaconitine methyllycaconitine: natural toxin from seeds of Delphinium brownii; parasympathomimetic and mild nicotine antagonist; antagonist of alpha-conotoxin-MII sensitive presynaptic nicotinic receptors; potent insecticide; RN refers to (1alpha,4(S),6beta,14alpha,16beta)-isomer	2.03	1	0
7,7-diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one 7,7-diphenyl-2-(1-imino-2-(2-methoxyphenyl)ethyl)perhydroisoindol-4-one: structure given in first source; RP 68651 is the inactive (3aS,7aS)-isomer; substance P antagonist	2	1	0
l-lactic acid (S)-lactic acid : An optically active form of lactic acid having (S)-configuration.	2.1	1	0	(2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
n,n-diallyl-tyrosyl-alpha-aminoisobutyric acid-phenylalanyl-leucine [no description available]	2.03	1	0
s-(2-chloro-1,1,2-trifluoroethyl)cysteine S-(2-chloro-1,1,2-trifluoroethyl)cysteine: nephrotoxic cpd	2	1	0
cgp 35348 CGP 35348: antagonizes both GABA-A and GABA-B receptors	1.98	1	0
sivelestat sivelestat: inhibitor of neutrophil elastase; structure given in first source	2	1	0	N-acylglycine; pivalate ester
indoxacarb indoxacarb: oxadiazine insecticide; structure in first source. insecticide : Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.	2.05	1	0	methyl ester; organochlorine insecticide	voltage-gated sodium channel blocker
propionylcarnitine propionylcarnitine: RN given refers to cpd without isomeric designation	2.51	2	0	O-acylcarnitine	analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug
dimyristoylphosphatidylglycerol [no description available]	2.94	4	0
hypotaurine [no description available]	7.21	1	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
tryptoline tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure	2.11	1	0	beta-carbolines
enkephalin, ser(2), leu(5), thr(6)- enkephalin, Ser(2), Leu(5), Thr(6)-: specific probe for the delta-opiate receptor subtype in brain membranes	2.42	2	0	oligopeptide
dityrosine dityrosine: o,o'-biphenol analog of tyrosine; isolated from insoluble protein of human cataractous lenses; structure. dityrosine : A biphenyl compound comprising two tyrosine residues linked at carbon-3 of their benzene rings.	2.68	3	0	biphenyls; non-proteinogenic alpha-amino acid; tyrosine derivative	biomarker
epicatechin gallate epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea. (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida.	2.95	1	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
phosphites Phosphites: Inorganic salts or organic esters of phosphorous acid that contain the (3-)PO3 radical. (From Grant & Hackh's Chemical Dictionary, 5th ed). phosphite(3-) : A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid.	2.53	2	0	phosphite ion; trivalent inorganic anion
1-hydroxymethylmidazolam 1-hydroxymethylmidazolam: metabolite of midazolam. 1-hydroxymidazolam : An imidazobenzodiazepine that is midazolam in which one of the hydrogens of the methyl group is substituted by a hydroxy group. It is the major metabolite of the anesthetic, midazolam.	2.08	1	0	aromatic primary alcohol; imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
2'-5'-oligoadenylate trimer 2',5'-oligoadenylate: inhibits protein synthesis in cell-free systems	2.37	2	0
(2-(trimethylammonium)ethyl)methanethiosulfonate (2-(trimethylammonium)ethyl)methanethiosulfonate: RN given for bromide; used in dopamine analysis	2	1	0
triptolide [no description available]	2.13	1	0	diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound	antispermatogenic agent; plant metabolite
ramosetron [no description available]	3.65	2	0	indoles
3-(phenylamino)alanine 3-(phenylamino)alanine: structure given in second source	1.98	1	0
alpha-methylphenylalanine alpha-methylphenylalanine: induces chronic hyperphenylalaninemia in suckling rats; models for the study of inborn errors of metabolism; RN given refers to parent cpd without isomeric designation	6.63	41	0	benzenes; monocarboxylic acid
sch 28080 Sch 28080: not related structurally to other known anti-ulcer agents; inhibits histamine-stimulated gastric secretion; prevents gastric lesions induced by aspirin, indomethacin & ethanol	2.4	2	0	imidazopyridine
carboxyamido-triazole carboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201	3.5	2	0
1-hexadecyl-2-acetyl-glycero-3-phosphocholine Platelet Activating Factor: A phospholipid derivative formed by PLATELETS; BASOPHILS; NEUTROPHILS; MONOCYTES; and MACROPHAGES. It is a potent platelet aggregating agent and inducer of systemic anaphylactic symptoms, including HYPOTENSION; THROMBOCYTOPENIA; NEUTROPENIA; and BRONCHOCONSTRICTION.. 2-O-acetyl-1-O-hexadecyl-sn-glycero-3-phosphocholine : A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has hexadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis.	2.94	4	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
ci 988 PD 134308: selective cholecystokinin type B receptor antagonist; inhibits growth of LoVo, a human colon cancer cell line; structure given in first source	4.79	10	0
deoxyglucose Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen.	6.95	23	1
3-chloro-L-tyrosine 3-chloro-L-tyrosine : A chloroamino acid comprising a tyrosine core with a chloro- substituent ortho to the phenolic hydroxy group.	2.13	1	0	chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid	biomarker; human metabolite
acetylphenylalanamide [no description available]	2.95	4	0
gamma-glutamylphenylalanine gamma-glutamylphenylalanine: RN given refers to (L-Phe-L-Glu)-isomer. gamma-Glu-Phe : A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-phenylalanine.. gamma-glutamylphenylalanine : A dipeptide composed of glutamic acid and phenylalanine joined together by a peptide linkage.	7.4	2	0	dipeptide	human urinary metabolite
prolinamide prolinamide: RN given refers to cpd without isomeric designation. L-prolinamide : The carboxamide derivative of L-proline.	2.46	2	0	amino acid amide; L-proline derivative; pyrrolidinecarboxamide
leucinol leucinol: RN given for (L)-isomer	2.44	2	0
polyterephthalic acid anhydride [no description available]	2.11	1	0
4-methoxymandelic acid 4-methoxymandelic acid: RN given refers to parent cpd; structure given in first source	2.11	1	0
anserine Anserine: A dipeptide containing BETA-ALANINE.. anserine : A dipeptide comprising of beta-alanine and 3-methyl-L-histidine units.	2.11	1	0	beta-alanine derivative; dipeptide; zwitterion	animal metabolite; mouse metabolite
leucinamide leucinamide: leucine aminopeptidase alternative substrate to leucyl beta naphthylamide; RN given refers to parent cpd(S)-isomer	1.97	1	0
neoeriocitrin neoeriocitrin: protects against autophagy-inhibiting effects of okadaic acid; isolated from Drynariae rhizome; structure in first source. neoeriocitrin : A flavanone glycoside that is eriodictyol substituted by a 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.	2.66	2	0	4'-hydroxyflavanones; disaccharide derivative; flavanone glycoside; neohesperidoside; trihydroxyflavanone	plant metabolite
2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone 2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone: a butylated hydroxytoluene hydroperoxide; structure given in first source	2.13	1	0
9-(2,3-dihydroxypropyl)adenine [no description available]	2.02	1	0
valerates Valerates: Derivatives of valeric acid, including its salts and esters.	3.82	12	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
florfenicol florfenicol: structure given in first source. florfenicol : A carboxamide that is the N-dichloroacetyl derivative of (1R,2S)-2-amino-3-fluoro-1-[4-(methanesulfonyl)phenyl]propan-1-ol. A synthetic veterinary antibiotic that is used for treatment of bovine respiratory disease and foot rot; also used in aquaculture.	2.15	1	0	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent
3-deoxyglucosone 3-deoxyglucosone: RN given refers to (D)-isomer. 3-deoxyglucosone : A deoxyketohexose comprising the open-chain form of D-glucose lacking the -OH group at the 3-position and having the keto group at the 2-position.	1.98	1	0	deoxyglucose; deoxyketohexose
oxymatrine oxysophoridine: an alkaloid isolated from Sophra alope; structure in first source	2.41	1	0	alkaloid; tertiary amine oxide
ibuprofen, (r)-isomer [no description available]	2.1	1	0	ibuprofen
benzoylphenylalanyl-alanyl-proline benzoylphenylalanyl-alanyl-proline: synthetic angiotensin converting enzyme substrate	1.96	1	0
phenylalanyl-prolyl-arginine-chloromethyl ketone phenylalanyl-prolyl-arginine-chloromethyl ketone: do not confuse with Pro-Phe-Arg-CH2-Cl or with Phe-Phe-Arg-CH2-Cl, both sometimes also referred to as PPACK	1.97	1	0
delta-philanthotoxin delta-philanthotoxin: from wasp Philanthus triangulum; blocks transmission postsynaptically at excitory synapses	2.03	1	0
4'-phosphopantetheine D-pantetheine 4'-phosphate : Pantetheine 4'-phosphate with D (R) configuration at the 2' position.	2.94	4	0	pantetheine 4'-phosphate	prosthetic group
s-methyl glutathione [no description available]	2.45	2	0	methyl sulfide; S-substituted glutathione; zwitterion
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid 2-aminobicyclo(2,2,1)heptane-2-carboxylic acid: amino acid analog; releases insulin; RN given refers to unlabeled cpd without isomeric designation	4.13	16	0	monoterpenoid
morphiceptin, n-me-phe(3)- morphiceptin, N-Me-Phe(3)-: RN given refers to D-prolinamide, all L-isomer	1.97	1	0
cp 65,526 azidoprazosin: labeled with 125I	2.39	2	0
nitisinone [no description available]	9.37	17	2	(trifluoromethyl)benzenes; C-nitro compound; cyclohexanones; mesotrione	EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
chymosin Chymosin: The predominant milk-clotting enzyme from the true stomach or abomasum of the suckling calf. It is secreted as an inactive precursor called prorennin and converted in the acid environment of the stomach to the active enzyme. EC 3.4.23.4.	2.87	4	0
marimastat marimastat: a matrix metalloproteinase inhibitor active in patients with advanced carcinoma of the pancreas, prostate, or ovary. marimastat : A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide.	7.55	21	0	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor
prunasin prunasin: cyanogenic glycoside; RN given refers to cpd without isomeric designation	2.04	1	0	prunasin
2',3'-dideoxycytidine 5'-triphosphate 2',3'-dideoxycytidine 5'-triphosphate: inhibits vesicular stomatitis virus RNA synthesis	2.01	1	0
thiodigalactoside thiodigalactoside: RN given refers to beta-D-galactopyranoside (D-Gal)-isomer	2.01	1	0
sr 48692 SR 48692: structure in first source; a neurotensin receptor-1 antagonist	2.01	1	0	N-acyl-amino acid
matairesinol matairesinol: lignan that is a central precursor in plants in the biosynthesis of numerous lignans (coordinate with specific); RN refers to (3R-trans)-isomer. (-)-matairesinol : A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer).	2.01	1	0	gamma-lactone; lignan; polyphenol	angiogenesis inhibitor; anti-asthmatic agent; phytoestrogen; plant metabolite
morphiceptin morphiceptin: synthetic tetrapeptide with morphinelike activities, highly specific for morphine receptors, but not for enkephalin receptors; is the amide of a fragment of the milk protein beta casein; deproceptin is the D-Pro(4)-isomer; see also related heptapeptide beta-casomorphin; RN given refers to parent cpd(L-Tyr-L-Pro-L-Phe-L-Pro)-isomer	7.39	2	0	oligopeptide
sch 23982 8-iodo-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepine-7-ol: labeled with 125I; D-1 dopamine receptor antagonist	1.99	1	0
caprylates Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.	3.34	7	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
1,3,4-thiadiazole 1,3,4-thiadiazole: structure given in first source	7.05	1	0	thiadiazole
dopachrome dopachrome: cyclization product of L-DOPA	2.4	2	0	orthoquinones
n-formylnorleucyl-leucyl-4-phenylalanine N-formylnorleucyl-leucyl-4-phenylalanine: used to demonstrate the specific binding of chemotactic peptides to receptors in rabbit neutrophils	2.39	2	0
n'-(2-chloroethyl)-n-(2-(methylsulfonyl)ethyl)-n'-nitrosourea N'-(2-chloroethyl)-N-(2-(methylsulfonyl)ethyl)-N'-nitrosourea: structure given in first source	2	1	0
renzapride [no description available]	3.18	1	0
deramciclane deramciclane: structure in first source; RN refers to (exo-EGYT 3886)-isomer	2.1	1	0
rb 101 RB 101: structure given in first source; inhibits enkephalinase and aminopeptidases; biologically cleaved at disulfide to produce inhibitors of both aminopeptidase N and neutral endopeptidase	6.94	55	0
3,5-difluorotyrosine [no description available]	2.11	1	0
hydroquinidine hydroquinidine: urinary quinine metabolite; RN given refers to (9S)-isomer; structure in Merck Index, 9th ed, #4703	7.07	1	0	cinchona alkaloid
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid 1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid: structure given in first source. DOTA : An azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group.	2.04	1	0	azamacrocycle	chelator; copper chelator
293b cpd 6-cyano-4-(N-ethylsulfonyl-N-methylamino)-3-hydroxy-2,2-dimethylchromane: RN given for (trans-(+-))-isomer	2.43	2	0	1-benzopyran
sch 39370 Sch 39370: RN given refers to (D)-hydroxy-isomer; RN for cpd without isomeric designation not available 9/89; structure given in first source; inhibits neutral metalloendopeptidase	3.31	2	0
zd 7114 [no description available]	1.99	1	0
mitiglinide mitiglinide: a rapid and short-acting hypoglycemic agent; acts on sulfonylurea receptor closing KATP channels; considered one of the glinides-an imprecise grouping; structure given in first source	9.28	23	2	benzenes; monocarboxylic acid
n-(1-anilinonaphthalyl)-4-maleimide [no description available]	1.97	1	0
wye [no description available]	3.56	9	0
fluorescein 5-maleimide [no description available]	2.04	1	0
n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide: structure given in first source. 7-diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin : A member of the class of coumarins that is 2H-chromen-2-one substituted by 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl, methyl, and diethylamino groups at positions 3, 4 and 7, respectively. It is a thiol-reactive fluorescent dye.	2.15	1	0	benzenes; coumarins; maleimides; tertiary amino compound	fluorescent dye
beta-(5-hydroxy-2-pyridyl)alanine beta-(5-hydroxy-2-pyridyl)alanine: from Streptomyces; RN given refers to (+-)-isomer	2.46	2	0
formylmethionyl-leucyl-phenylalanine methyl ester [no description available]	2.43	2	0	peptide
n-bromoacetyl-3,3',5-triiodothyronine N-bromoacetyl-3,3',5-triiodothyronine: RN given refers to (L)-isomer	2.01	1	0
2-n-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine 2-N-(4-(1-azitrifluoroethyl)benzoyl)-1,3-bis-(mannos-4-yloxy)-2-propylamine: an azi-ethyl-benzoyl-propylamine with mannose attached at two locations of the propylamine	1.98	1	0
7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole [no description available]	2.44	2	0
dopamine 3-o-sulfate dopamine 3-O-sulfate: end product of L-Dopa metabolism in Parkinson patients; see also record for dopamine 4-O-sulfate. dopamine 3-O-sulfate : An aryl sulfate that is dopamine in which the phenolic hydrogen at position 3 has been replaced by a sulfo group.	2.6	1	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
benzoyl-coenzyme a benzoyl-coenzyme A: RN given refers to unlabeled cpd	2.92	4	0
brl 35135 BRL 35135: structure given in first source	1.99	1	0
tryptophan methyl ester tryptophan methyl ester: RN given refers to parent cpd(DL)-isomer	1.94	1	0
magnesium pyrophosphate magnesium pyrophosphate: RN given refers to parent cpd (2:1)	2	1	0
tyrosyl-arginyl-phenylalanyl-lysinamide tyrosyl-arginyl-phenylalanyl-lysinamide: dermorphin analog	2	1	0
dansylsarcosine [no description available]	2.06	1	0
1-ethyl-3-(3-(dimethylamino)propyl)carbodiimide methiodide [no description available]	1.98	1	0
hexaamminecobalt(ii) hexaamminecobalt(II): RN given refers to parent cpd	1.99	1	0
dansylglutamyl-glycyl-arginine chloromethyl ketone dansylglutamyl-glycyl-arginine chloromethyl ketone: inactivates bovine factor Xa	1.99	1	0
butyryl-coenzyme a [no description available]	2	1	0	butanoyl-CoAs	Escherichia coli metabolite; mouse metabolite
acetylphenylalanyl-prolyl-boroarginine Ac-(D)Phe-Pro-boroArg-OH : A C-terminal boronic acid petide that is N-acetyl-D-phenylalanyl-L-prolyl-L-arginine in which the C-termnal carboxy group has been replaced by a borono (-B(OH)2) group. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant.. DuP-714 : A hydrochloride resulting from the formal reaction of equimolar amounts of Ac-(D)Phe-Pro-boroArg-OH and hydrogen chloride. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant.	2	1	0	acetamides; C-terminal boronic acid peptide; guanidines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
erythrose 4-phosphate erythrose 4-phosphate: RN given refers to (R-(R,R))-isomer. D-erythrose 4-phosphate : An erythrose phosphate that is D-erythrose carrying a phosphate group at position 4. It is an intermediate in the pentose phosphate pathway and Calvin cycle.	3.09	5	0	erythrose phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
trichloromethyl free radical trichloromethyl free radical: able to react with amino acid esters	1.97	1	0	organic radical
carbene carbene: electrically neutral species H2C: and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons; carbene is the name of the parent hydride :CH2 ; hence, the name dichlorocarbene for :CCl2. However, names for acyclic and cyclic hydrocarbons containing one or more divalent carbon atoms are derived from the name of the corresponding all-4-hydrocarbon using the suffix -ylidene; methylene carbene also available. carbene : The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state).	3.1	5	0	carbene; methanediyl
peroxynitrous acid Peroxynitrous Acid: A potent oxidant synthesized by the cell during its normal metabolism. Peroxynitrite is formed from the reaction of two free radicals, NITRIC OXIDE and the superoxide anion (SUPEROXIDES).	3.33	6	0	nitrogen oxoacid
perchlorate perchlorate: the explosive component of rocket fuel; an environmental contaminant that disrupts THYROID HORMONES. perchlorate : A monovalent inorganic anion obtained by deprotonation of perchloric acid.	7.47	2	0	chlorine oxoanion; monovalent inorganic anion
1-aminoindan [no description available]	2.06	1	0
fullerene c60 Fullerenes: A polyhedral CARBON structure composed of around 60-80 carbon atoms in pentagon and hexagon configuration. They are named after Buckminster Fuller because of structural resemblance to geodesic domes. Fullerenes can be made in high temperature such as arc discharge in an inert atmosphere.. fullerene : A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms.	3.57	8	0	fullerene	geroprotector
imatinib mesylate imatinib methanesulfonate : A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.	4.05	4	0	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
tazobactam Tazobactam: A penicillanic acid and sulfone derivative and potent BETA-LACTAMASE inhibitor that enhances the activity of other anti-bacterial agents against beta-lactamase producing bacteria.. tazobactam : A member of the class of penicillanic acids that is sulbactam in which one of the exocyclic methyl hydrogens is replaced by a 1,2,3-triazol-1-yl group; used (in the form of its sodium salt) in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections.	2.41	1	0	penicillanic acids; triazoles	antiinfective agent; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
cholecystokinin (27-33) [no description available]	1.98	1	0
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer)	3.13	1	0	leucine derivative
tyrosyl-glycyl-glycine tyrosyl-glycyl-glycine: RN given refers to L-isomer; this may not be the same as IMREG-1. Tyr-Gly-Gly : A tripeptide composed of one L-tyrosine and two glycine residues joined in sequence.	2.05	1	0	tripeptide zwitterion; tripeptide	metabolite
2-mercaptomethyl-3-guanidinoethylthiopropionic acid 2-mercaptomethyl-3-guanidinoethylthiopropionic acid: RN given refers to (+-)-isomer; structure given in first source	1.99	1	0
3-iodo-alpha-methyltyrosine 3-iodo-alpha-methyltyrosine: used for SPECT imaging of brain tumors; RN given refers to unlabeled cpd without stereoisomeric designation	4.09	3	1
cgp 42112a CGP 42112A: a hexapeptide analog of angiotensin II; activation of Receptor, Angiotensin, Type 2 results in vasodilation. CGP-42112A : A hexapeptide consisting of L-tyrosine, L-lysine, L-histidine, L-proline and L-isoleucine amino acid residues coupled in sequence and in which the amino group of the L-tyrosyl residue is substituted by a (pyridin-3-ylcarbonyl)nitrilo group and in which the L-lysyl side chain amino group is substituted by a {N(2)-[(benzyloxy)carbonyl]-L-arginyl}nitrilo group. It is a potent angiotensin II receptor type 2 (AT2 receptor) agonist.	2.04	1	0	benzyl ester; oligopeptide; pyridinecarboxamide	angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent
deltorphin ii, ala(2)- deltorphin II, Ala(2)-: isolated from skin extracts of frogs belonging to the genus Phyllomedusa; has affinity to opioid receptors	2.4	2	0
phenylalanyl-leucyl-phenylalanyl-glutaminyl-prolyl-glutaminyl-arginyl-phenylalaninamide phenylalanyl-leucyl-phenylalanyl-glutaminyl-prolyl-glutaminyl-arginyl-phenylalaninamide: endogenous opioid antagonist octapeptide from bovine brain	2.43	2	0
kyotorphin kyotorphin: morphine-like dipeptide from bovine brain; RN given refers to (L-Arg-L-Tyr)-isomer. Tyr-Arg : A dipeptide composed of L-tyrosine and L-arginine joined by a peptide linkage.	8.07	5	0	dipeptide
angiotensin ii, des-phe(8)- Ile(5)-angiotensin II (1-7) : An angiotensin compound consisting of the linear heptapeptide sequence L-Asp-L-Arg-L-Val-L-Tyr-L-Ile-L-His-L-Pro.	4.04	5	0	amino acid zwitterion; angiotensin	vasodilator agent
5,5'-bis(8-(phenylamino)-1-naphthalenesulfonate) [no description available]	2.7	3	0
angiotensin ii, des-asp(1)-des-arg(2)-ile(5)- angiotensin II, des-Asp(1)-des-Arg(2)-Ile(5)-: 3-8 hexapeptide fragment of angiotensin II; smallest potent angiotensin II antagonist	3.26	6	0	organic molecular entity
n,n-dimethylarginine N,N-dimethylarginine: asymmetric dimethylarginine; do not confuse with N,N'-dimethylarginine. N(omega),N(omega)-dimethyl-L-arginine : A L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group.	7.4	4	2	dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor
hoe 694 3-methylsulfonyl-4-piperidinobenzoyl guanidine: structure given in first source; a potent inhibitor of the Na+/H+ exchanger	2.01	1	0
antibiotic g 418 antibiotic G 418: from Micromonospora rhodorangea	1.98	1	0
6-hydroxydopa quinone 6-hydroxydopa quinone: structure given in first source; quinoid cofactor of quinoproteins; RN given refers to the 4-hydroxy-3,6-dioxo- tautomer. L-topaquinone : A topaquinone that has S configuration.	1.98	1	0
interleukin-1beta (163-171) interleukin-1beta (163-171): nonapeptide which has in vivo immunostimulating activity	2.01	1	0
benzoylarginine ethyl ester benzoylarginine ethyl ester: used as substrate for trypsin; RN given refers to parent cpd	1.99	1	0
bradykinin, leu(8)-des-arg(9)- bradykinin, Leu(8)-des-Arg(9)-: RN given refers to (L)-isomer	2	1	0
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone 1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone: structure given in first source. 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one : A differentiation-inducing factor that is hexaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells.	3.27	6	0	dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols	eukaryotic metabolite; signalling molecule
lysyl-aspartyl-glutamyl-leucine lysyl-aspartyl-glutamyl-leucine: retains type II surface membrane proteins in the endoplasmic reticulum; RN refers to all (L)-isomer	1.98	1	0
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide 4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide: a highly-selective, nonpeptide delta opioid receptor agonist; structure given in first source	2.03	1	0	diarylmethane
kelatorphan kelatorphan: inhibitor of enkephalin metabolism; structure given in first source	4.34	6	0
e 64 E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-)	3.4	7	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
dehydroalanine 2-ammonioprop-2-enoate : An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 2-aminoacrylic acid.. 2-aminoacrylic acid : A 2,3-dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3.	3.27	6	0	2,3-dehydroamino acid; alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion; enamine; non-proteinogenic alpha-amino acid	alkylating agent; human metabolite; mouse metabolite
coenzyme f420 coenzyme gamma-F420-2 : The amide obtained by formal condensation of the carboxylic acid group of F420-0 with the amino group of L-gamma-glutamyl-L-glutamic acid.	1.96	1	0
2',6'-dimethyltyrosine 2',6'-dimethyltyrosine: structure given in first source	7.44	2	0
1,4,7-triazacyclononane-n,n',n''-triacetic acid 1,4,7-triazacyclononane-N,N',N''-triacetic acid: structure given in first source	2.21	1	0
chloroterpyridineplatinum(ii) [no description available]	1.95	1	0
3-amino-2-hydroxy-4-phenylbutanoic acid [no description available]	1.98	1	0
glycerophosphoinositol 4,5-bisphosphate glycerophosphoinositol 4,5-bisphosphate: do not confuse with phosphatidylinositols which have fatty acids esterified at the C-1 and C-2 hydroxyl groups of glycerol	2.01	1	0
succinylacetoacetate 3,5-dioxooctanedioic acid : An alpha,omega-dicarboxylic acid that is suberic acid which oxo groups replace the hydrogens at positions 3 and 5. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia.	2.37	2	0	alpha,omega-dicarboxylic acid; beta-diketone	human metabolite
glutamate thiol glutamate thiol: structure given in first source; RN given refers to (S)-isomer	1.99	1	0
3-(4-carboxybenzoyl)-2-quinolinecarboxaldehyde 3-(4-carboxybenzoyl)-2-quinolinecarboxaldehyde: reagent for ultrasensitive determination of primary amines by capillary electrophoresis using laser fluorescence detection; structure given in first source	2.03	1	0	benzoic acids; quinolines	fluorochrome
5'-deoxy-5'-(isobutylthio)-3-deazaadenosine 5'-deoxy-5'-(isobutylthio)-3-deazaadenosine: analog of S-adenosylhomocysteine; structure	1.96	1	0
3-(4-(3-(trifluoromethyl)-3h-diazirin-3-yl)phenyl)alanine 3-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)alanine: a photoreactive cross-linking reagent; structure given in first source; RN given is for D-phenylalanine	3.51	8	0
4-methylumbelliferylcellobioside 4-methylumbelliferylcellobioside: substrate for cellobiohydrolase I	1.99	1	0	coumarins; glycoside
n-(3,5-dinitrobenzoyl)phenylglycine N-(3,5-dinitrobenzoyl)phenylglycine: RN given for (R)-isomer	1.98	1	0
4-phosphonomethylphenylalanine 4-(phosphonomethyl)-L-phenylalanine : A 4-(phosphonomethyl)phenylalanine that has L-configuration.. 4-(phosphonomethyl)phenylalanine : A phenylalanine derivative that is phenylalanine substituted by a phosphonomethyl group at position 4.	3.5	8	0
methotrexate [no description available]	6.4	41	1	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
n-hydroxysuccinimide s-acetylthioacetate N-hydroxysuccinimide S-acetylthioacetate: introduces sulfhydryl groups into proteins; structure given in first source	2.13	1	0
cgs 26393 CGS 26393: prodrug of CGS-26303; RN given for (S)-isomer	2.4	2	0
dihydroethidium dihydroethidium: RN given is for the (+-)-isomer	2.06	1	0
rb 38 a [no description available]	3.59	9	0
3-n-(2-fluoroethyl)spiperone 3-N-(2-fluoroethyl)spiperone: structure given in first source	1.99	1	0
win 56291 Win 56291: anti-rhinoviral drug; structure given in first source	2.1	1	0
tyrosyl-seryl(o-tert-butyl)-glycyl-phenylalanyl-leucyl-threonine tyrosyl-seryl(O-tert-butyl)-glycyl-phenylalanyl-leucyl-threonine: has good selectivity & high affinity for delta opioid receptors	2.38	2	0
tyrosyl-seryl(o-t-butyl)-glycyl-phenylalanyl-leucyl-threonine(o-t-butyl) tyrosyl-seryl(O-t-butyl)-glycyl-phenylalanyl-leucyl-threonine(O-t-butyl): RN given refers to L-Thr-L-Tyr-D-Ser-Gly-L-Phe-L-Leu cpd; RN for cpd without isomeric designation not available 3/90	2.68	3	0
substance p (6-11), arg(6)-trp(7,9)-me-phe(8)- substance P (6-11), Arg(6)-Trp(7,9)-Me-Phe(8)-: substance P antagonist	2	1	0
3-pyridylalanine [no description available]	1.99	1	0
mdl 73404 MDL 73404: structure given in first source; a hydrophilic cardioselective free radical scavenger; analog of alpha-tocopherol	1.98	1	0
pyrophen pyrophen: structure given in first source	8.3	6	0
jg 365 [no description available]	2	1	0
thyroxine sulfate thyroxine sulfate: RN given for (L)-isomer. thyroxine sulfate : An iodothyronine having iodo substituents in the 3-, 3'-, 5- and 5'-positions and a sulfate group attached to the phenol function.	2.01	1	0
ilomastat CS 610: matrix metalloproteinase inhibitor; structure in first source. ilomastat : An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor	2.43	2	0	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent
thrombin receptor peptide sfllrnp thrombin receptor peptide SFLLRNP: a synthetic peptide that induces early events of T cell activation and synergizes with TCR cross-linking for CD69 expression & interleukin-2 production; thrombin receptor agonist; do not confuse with TRAP peptide	1.99	1	0
cgs 25462 CGS 25462: a neutral endopeptidase (NEP) inhibitor; structure given in first source	2.39	2	0
omega-n-methylarginine omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.. N(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.	2.91	4	0	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
cgs 26303 CGS 26303: a potent non-peptidic inhibitor of neutral endopeptidase capable of protecting atrial natriuretic peptide from enzymatic degradation; structure given in first source	4.61	8	0
ws 79089b WS 79089B: isolated from Streptosporangium roseum; FR901533 is the sodium salt; structure in first source	3.51	2	0
1-amino-2-ethylcyclopropane-1-carboxylic acid 1-amino-2-ethylcyclopropane-1-carboxylic acid: an ethylcyclopropyl amino-acid derived from isoleucine; it may be coupled to coronafacic acid by coronafacate ligase to form coronatine; substrate of malonyltransferase & inhibitor of 1-aminocyclopropane-1-carboxylic acid malonyltransferase; RN given refers to cpd without isomeric designation	2.03	1	0	amino monocarboxylic acid
beta-casomorphin, des-tyr- beta-casomorphin, des-Tyr-: RN given refers to all (L)-isomer	1.98	1	0
((4-bromobenzyl)oxy)acetic acid ((4-bromobenzyl)oxy)acetic acid: structure given in first source	1.96	1	0
carbapenems [no description available]	2.01	1	0
carbocysteine-lysine [no description available]	3.35	1	0	dipeptide
4-iodophenylalanine 4-iodophenylalanine: RN given refers to cpd without isomeric designation. 4-iodophenylalanine : A phenylalanine derivative that is phenylalanine carrying an iodo group at position 4 on the benzene ring.	11.45	23	2	4-iodophenylalanine
alpha-ergocryptine ergocryptine: a component of the ergotoxine complex; it is the main ergot alkaloid of Japanese & South American wid grasses; minor descriptor (76-86); on-line & INDEX MEDICUS search ERGOLINES (76-86); RN given refers to ((5'alpha)-isomer). alpha-ergocryptine : Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine.	1.98	1	0	ergot alkaloid
aspartame [no description available]	13.7	115	26	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
pomalidomide 3-aminophthalimidoglutarimide: structure in first source	5.58	2	2	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
xylose xylopyranose: structure in first source	5.2	19	0	D-xylose
beta-lactams 2-azetidinone: structure in first source. azetidin-2-one : An unsubstituted beta-lactam compound.. beta-lactam : A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.	2.83	3	0	beta-lactam antibiotic allergen; beta-lactam
sperm motility inhibitor 2 [no description available]	2.02	1	0
phenyldiazene phenyldiazene: structure	1.98	1	0
proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.	12.69	538	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
cucurbitaceae Cucurbitaceae: The gourd plant family of the order Violales, subclass Dilleniidae, class Magnoliopsida. It is sometimes placed in its own order, Cucurbitales. 'Melon' generally refers to CUCUMIS; CITRULLUS; or MOMORDICA.	3.16	3	0
3-octylthio-1,1,1-trifluoro-2-propanone 3-octylthio-1,1,1-trifluoro-2-propanone: a pesticide synergist; inhibits juvenile hormone esterase	2.03	1	0
1-nitro-9-aminoacridine [no description available]	1.95	1	0
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.	2.41	2	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
diquafosol diquafosol: purinoceptor P2Y(2) receptor agonist. P(1),P(4)-bis(uridin-5'-yl) tetraphosphate : A pyrimidine ribonucleoside 5'-tetraphosphate compound having 5'-uridinyl residues at the P(1)- and P(4)-positions.	2.17	1	0	pyrimidine ribonucleoside 5'-tetraphosphate; uridine 5'-phosphate	mouse metabolite; P2Y2 receptor agonist
peptide elongation factor 2 Peptide Elongation Factor 2: Peptide Elongation Factor 2 catalyzes the translocation of peptidyl-tRNA from the A site to the P site of eukaryotic ribosomes by a process linked to the hydrolysis of GTP to GDP.	4.31	4	0
levofloxacin Levofloxacin: The L-isomer of Ofloxacin.. levofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase.	2.46	2	0	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
aclacinomycin aklavin: antibiotic prepared from culture liquids of streptomycete (A 1129); possessing antiphage activity; structure. aclacinomycin T : An anthracycline that is aklavinone having an alpha-L-rhodosaminyl residue attached at position 4 via a glycosidic linkage.	2.01	1	0	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite
4-boronophenylalanine 4-boronophenylalanine: neutron absorbing (10)B-cpd used in thermal neutron capturetherapy of malignant melanoma; RN given refers to (L)-isomer; structure given in first source	15.23	204	12
pyrrole-2,3,5-tricarboxylic acid pyrrole-2,3,5-tricarboxylic acid: structure given in first source	2.01	1	0
benzoyl l-arginine methyl ester benzoyl L-arginine methyl ester: RN given refers to (L-Arg)-isomer	1.96	1	0
3,4-dihydroxybutanoic acid 3,4-dihydroxybutanoic acid: endogenous sugar acid from serum of fasted rates acting as satiety factor in rats; RN given refers to parent cpd. 3,4-dihydroxybutyric acid : A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively.	2.11	1	0	3-hydroxy fatty acid; omega-hydroxy-short-chain fatty acid	human metabolite
alanine-4-nitroanilide alanine-4-nitroanilide: substrate for aminopeptidase M	2.04	1	0
glucosyl fluoride glucosyl fluoride: RN given refers to (alpha-D)-isomer	2.06	1	0
4-aminophenylalanine 4-aminophenylalanine: RN given refers to cpd without isomeric designation. 4-amino-L-phenylalanine : The L-enantiomer of 4-aminophenylalanine.. 4-aminophenylalanine : A phenylalanine derivative that is phenylalanine carrying an amino group at position 4 on the benzene ring.	6.35	50	0	4-aminophenylalanine; amino acid zwitterion
galactonolactone galactonolactone: used in detecting a galactosemic fetus; presumed inhibitor of one of the alternate pathways for galactose utilization; RN given refers to cpd without isomeric designation	2.05	1	0
n-palmitoylglycine N-hexadecanoylglycine : An N-acylglycine in which the acyl group is specified as hexadecanoyl (palmitoyl).	2.03	1	0	fatty amide; N-acylglycine 16:0	human metabolite; marine metabolite
cariporide cariporide: a selective sodium-hydrogen exchange subtype 1 inhibitor; structure in first source	2.1	1	0
tyrosinamide tyrosinamide: RN given refers to (S)-isomer. L-tyrosinamide : An amino acid amide that is L-tyrosine in which the carboxy OH group is replaced by NH2.	2.67	3	0	amino acid amide; L-tyrosine derivative
tyrosinol tyrosinol: amino alcohol analog of tyrosine; RN given refers to parent cpd(S)-isomer	1.96	1	0
2-aminocyclohexanecarboxylic acid 2-aminocyclohexanecarboxylic acid: RN given for (trans)-isomer; structure in first source	7.07	1	0
beta-phenylisoserine beta-phenylisoserine: structure in first source	7.01	1	0
glycine tert-butyl ester tert-butyl glycinate: structure in first source	1.99	1	0
arginine beta-naphthylamide arginine beta-naphthylamide: RN given refers to (S)-isomer. L-arginine 2-naphthylamide : An L-arginine derivative that is the amide obtained by formal condensation of the carboxy group of L-arginine with the amino group of 2-naphthylamine.	2.44	2	0	amino acid amide; L-arginine derivative; N-(2-naphthyl)carboxamide	chromogenic compound
2-fluorotyrosine 2-fluorotyrosine: RN given refers to (+-) cpd; RN for cpd without isomeric designation not available 8/89; PET tracer of protein synthesis	2.42	2	0
4-methylphenylalanine 4-methylphenylalanine: RN given refers to cpd without isomeric designation; structure given in first source	4.82	10	0
enkephalin-leu, des-tyr(1)- enkephalin-Leu, des-Tyr(1)-: RN given refers to all (L)-isomer	1.96	1	0
phenylalanylphenylalanine methyl ester phenylalanylphenylalanine methyl ester: RN given refers to (L)-isomer	2.02	1	0
phenylalanine anilide [no description available]	8.95	13	0
arginylarginine 2-naphthylamide arginylarginine 2-naphthylamide: substrate for dipeptidyl peptidase III	2.05	1	0
histidylphenylalanine His-Phe : A dipeptide obtained by formal condensation of the carboxy group of L-histidine with the amino group of L-phenylalanine.	2.46	2	0	dipeptide
prolyl-tyrosine prolyl-tyrosine: structure given in first source. Pro-Tyr : A dipeptide formed from L-proline and L-tyrosine residues.	1.97	1	0	dipeptide	metabolite
moxifloxacin Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent.. moxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.	5.42	4	3	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
thiobenzyl benzyloxycarbonyl-l-lysinate thiobenzyl benzyloxycarbonyl-L-lysinate: substrate for trypsin-like enzymes; RN given refers to (S)-isomer. thiobenzyl benzyloxycarbonyl-L-lysinate : An L-lysine derivative that is L-lysine in which the amino group is replaced by a [(benzyloxy)carbonyl]amino group and the carboxy group is replaced by a (benzylsulfanyl)carbonyl group. It is a substrate for a sensitive colorimetric assay for trypsin-like enzymes.	1.99	1	0	benzyl ester; carbamate ester; L-lysine derivative; primary amino compound; thiocarboxylic ester
10-deacetylbaccatine iii 10-deacetylbaccatine III: structure given in first source	2.42	2	0	secondary alpha-hydroxy ketone; tetracyclic diterpenoid
cyanopindolol [no description available]	1.99	1	0	indoles
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.	3.3	6	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
cinacalcet cinacalcet : A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group.	2.5	2	0	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	8.89	50	0	oxygen hydride; oxygen radical; reactive oxygen species
naphthalenediimide naphthalenediimide: structure in first source	2.13	1	0
lubiprostone [no description available]	3.61	2	0
rhodioloside [no description available]	2.03	1	0	glycoside
2-amino-5-phosphonomethyl(1,1'-biphenyl)-3-propanoic acid 2-amino-5-phosphonomethyl(1,1'-biphenyl)-3-propanoic acid: structure in first source; NMDA receptor antagonist	1.98	1	0
reactive yellow 13 reactive yellow 13: ligand for affinity chromatography of alkaline phosphatase; structure given in first source	1.96	1	0
gougerotin [no description available]	1.93	1	0
methyl-3-tyrosine methyl-3-tyrosine: RN given refers to cpd without isomeric designation. 3-methyl-L-tyrosine : A tyrosine derivative that is L-tyrosine in which the hydrogen at position 3 on the phenyl ring is replaced by a methyl group.	2.13	1	0	amino acid zwitterion; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid
carcinolipin carcinolipin: structure	1.95	1	0
eritadenine eritadenine: isolated from Lentinula edodes (Shiitake mushroom); inhibits S-adenosyl-L-homocysteine hydrolase activity	2.08	1	0
fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols	2.92	4	0
carbodiimides Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted.	3.46	8	0	carbodiimide
abrine abrine: from seeds of Abrus precatorius; structure in first source. N(alpha)-methyl-L-tryptophan : A N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan.	2.41	2	0	L-tryptophan derivative; N-methyl-L-alpha-amino acid zwitterion; N-methyl-L-alpha-amino acid	Escherichia coli metabolite
5-androstene-3,17-dione androst-5-ene-3,17-dione : An androstanoid that is androst-5-ene bearing two oxo substituents at positions 3 and 17.	2	1	0	17-oxo steroid; 3-oxo-Delta(5)-steroid; androstanoid
3-deoxy-d-arabino-heptulosonate-7-phosphate 3-deoxy-D-arabino-heptulosonate-7-phosphate: do not confuse with 5-DAHP (5-dehydro-3-deoxyarabinoheptulosonic acid-7-phosphate) or with 2,4-DAHP (2,4-diaminohypoxanthine) which are also referred to as DAHP. 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid : A ketoaldonic acid phosphate consisting of 2-dehydro-3-deoxy-D-arabino-heptonic acid having a phospho group at the 7-position.	2.68	3	0	ketoaldonic acid phosphate	Escherichia coli metabolite
benzobamil [no description available]	2.02	1	0
zinc hematoporphyrin [no description available]	2	1	0
2-methylthio-n-6-isopentenyladenosine 2-methylthio-N(6)-(Delta(2)-isopentenyl)adenosine : A nucleoside analogue in which adenosine has been modified by substitution at C-2 by a methylthio (methylsulfanyl) group and at the 6-amino nitrogen by a Delta(2)-isopentenyl group.	1.96	1	0	nucleoside analogue
3-(2-iodoacetamido)-2,2,5,5-tetramethyl-1-pyrrolidinyloxyl 3-(2-iodoacetamido)-2,2,5,5-tetramethyl-1-pyrrolidinyloxyl: structure given in first source	2.02	1	0	aminoxyls; organoiodine compound; pyrrolidinecarboxamide
withanolide d withanolide D: structure. withanolide D : A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 22 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity.	1.95	1	0	20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide	antineoplastic agent
am toxin iii AM toxin III: structure given in first source	3.11	1	0
3,3-diphenylalanine 3,3-diphenylalanine: a conformationally restricted phenylalanine; structure in first source	3.12	5	0
ascidiacyclamide ascidiacyclamide: structure given in first source; isolated from the marine tunicate Ascidian	2.52	2	0	cyclic peptide
neurokinin a (4-10), nle(10)- [no description available]	1.98	1	0
angiotensin ii (3-7) [no description available]	1.98	1	0
tanshinone ii a tashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first source	2.41	1	0	abietane diterpenoid
serine o-sulfate serine O-sulfate: RN given refers to (L)-isomer. L-serine O-sulfate : A non-proteinogenic L-alpha-amino acid that is the O-sulfo derivative of L-serine.	1.98	1	0	L-serine derivative; non-proteinogenic L-alpha-amino acid; O-sulfoamino acid
calcium pyrophosphate [no description available]	1.96	1	0
ro 20683 Ro 20683: RN given refers to bromide	2	1	0
tetraphenylphosphonium tetraphenylphosphonium: RN given refers to parent cpd; structure. tetraphenylphosphonium : A polyatomic cation consisting of four phenyl groups attached to a central phosphonium.	2.71	3	0	heteroorganic entity; phosphorus molecular entity; polyatomic cation
4-guanidinophenylalanine [no description available]	3.08	5	0
histidinol L-histidinol : An amino alcohol that is propanol substituted by 1H-imidazol-4-yl group at position 3 and an amino group at position 2 (the 2S stereoisomer).	7.36	2	0	amino alcohol; imidazoles	EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
nicotinic acid adenine dinucleotide nicotinic acid adenine dinucleotide: intermediate in the biosynthesis of NAD	2.02	1	0	nicotinic acid dinucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
paromomycin Paromomycin: An aminoglycoside antibacterial and antiprotozoal agent produced by species of STREPTOMYCES.. paromomycin : An amino cyclitol glycoside that is the 1-O-(2-amino-2-deoxy-alpha-D-glucopyranoside) and the 3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranoside of 4,6-diamino-2,3-dihydroxycyclohexane (the 1R,2R,3S,4R,6S diastereoisomer). It is obtained from various Streptomyces species. A broad-spectrum antibiotic, it is used (generally as the sulfate salt) for the treatment of acute and chronic intestinal protozoal infections, but is not effective for extraintestinal protozoal infections. It is also used as a therapeutic against visceral leishmaniasis.	4.43	7	0	amino cyclitol glycoside; aminoglycoside antibiotic	anthelminthic drug; antibacterial drug; antiparasitic agent; antiprotozoal drug
phenylacetyl-coenzyme a phenylacetyl-CoA : An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylacetic acid.	2.42	2	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
metaperiodate metaperiodate: RN given refers to periodic acid, Na salt; structure. periodate : A monovalent inorganic anion obtained by deprotonation of periodic acid.	1.94	1	0	iodine oxoanion; monovalent inorganic anion
2,2,6,6-tetramethylpiperidine-n-oxide-4-amino-4-carboxylic acid 2,2,6,6-tetramethylpiperidine-N-oxide-4-amino-4-carboxylic acid: structure given in first source	2	1	0	aminoxyls; piperidinemonocarboxylic acid
4-nitrophenylmaltoside [no description available]	2.03	1	0
tyrosinyl-5'-amp tyrosinyl-5'-AMP: RN given refers to S-isomer	1.96	1	0
aminopterin Aminopterin: A folic acid derivative used as a rodenticide that has been shown to be teratogenic.	2.86	4	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
2-nitrophenyl octyl ether [no description available]	2.08	1	0
2-hydroxy-3-butynoate 2-hydroxy-3-butynoic acid: irreversible inhibitor of D-lactate dehydrogenase; structure	1.97	1	0
bathocuproine disulfonate bathocuproine sulfonate: reagent for copper; RN given refers to parent cpd. bathocuproine disulfonic acid : A phenanthroline that consists of 1,10-phenanthroline bearing two methyl groups at position 2 and 9 as well as two 4-sulfophenyl groups at positions 4 and 7.. copper chelator : A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points.	1.96	1	0	arenesulfonic acid; phenanthrolines	chelator
alpha-aminooxy-beta-phenylpropionic acid alpha-aminooxy-beta-phenylpropionic acid: inhibits phenylalanine ammonia-lyase; RN given refers to (S)-isomer	5.23	16	0
5-hydroxyhexanoic acid 5-hydroxyhexanoic acid : A medium-chain fatty acid that is hexanoic acid substituted at position 5 by a hydroxy group.	2.11	1	0	(omega-1)-hydroxy fatty acid; medium-chain fatty acid	human urinary metabolite
wyosine wyosine: derivative of tricyclic guanine nucleus; see also record for wye (base); structure	6.95	1	0	carbohydrate derivative; nucleobase-containing molecular entity
3-(3-amino-3-carboxypropyl)uridine 3-(3-amino-3-carboxypropyl)uridine: biosynthesized in E coli by novel enzyme which transfers 3-amino-3-carboxypropyl group into tRNA; enzyme requires S-adenosylmethione as donor cpd; structure. 3-(3-amino-3-carboxypropyl)uridine : A derivative of uridine, bearing an additional 3-amino-3-carboxypropyl substituent at position 5 on the uracil ring.	7.35	2	0	uridines
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	6.24	27	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
angiotensin ii Giapreza: injectable form of angiotensin II used to increase blood pressure in adult patients with septic or other distributive shock. Ile(5)-angiotensin II : An angiotensin II that acts on the central nervous system (PDB entry: 1N9V).	6.46	70	0	amino acid zwitterion; angiotensin II	human metabolite
prolylleucine prolylleucine: RN given refers to (D-Leu-L-Pro)-isomer	2.41	1	0
asperphenamate asperphenamate: isolated from culture filtrate & mycelium of Aspergillus flavipes ATCC 11013; structure. asperphenamate : A carboxylic ester resulting from the formal condensation of the carboxy group of N-benzoyl-L-phenylalanine with the hydroxy group of N-benzoyl-L-phenylalaninol. A metabolite found in several Pencillium and Aspergillus species, as well as in plants as a product of endophytic fungi.	3.6	8	0	benzamides; carboxylic ester; L-phenylalanine derivative	antineoplastic agent
pinoresinol diglucoside pinoresinol diglucoside: major antihypertensive principle of Tu-Chung (Eucummia ulmoides, Oliver); structure	2.21	1	0
n-hydroxytyrosine N-hydroxytyrosine: structure. N-hydroxytyrosine : An L-tyrosine derivative obtained by replacement of one of the amino hydrogen by a hydroxy group.	1.98	1	0	L-tyrosine derivative; N-hydroxy-alpha-amino-acid
atropine tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.	4.52	25	0
lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.	7.18	38	0
3-o-methyl-6-fluoro-dopa 3-O-methyl-6-fluoro-dopa: RN refers to (18F-labeled-L)-isomer	2.67	3	0
sb 203580 [no description available]	2.04	1	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
erlotinib hydrochloride [no description available]	4.13	3	1	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor
organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.	7.24	50	0	divalent inorganic anion; phosphite ion
thaxtomine a thaxtomine A: a phytotoxin produced by Streptomyces scabies; RN given for (3R-trans)-isomer; structure in first source	2.01	1	0
2-naphthylalanine 2-naphthylalanine: structure in first source	8.16	5	0
aflatoxin b1 Aflatoxin B1: A potent hepatotoxic and hepatocarcinogenic mycotoxin produced by the Aspergillus flavus group of fungi. It is also mutagenic, teratogenic, and causes immunosuppression in animals. It is found as a contaminant in peanuts, cottonseed meal, corn, and other grains. The mycotoxin requires epoxidation to aflatoxin B1 2,3-oxide for activation. Microsomal monooxygenases biotransform the toxin to the less toxic metabolites aflatoxin M1 and Q1.. aflatoxin B1 : An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.	2	1	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
4-benzylaminesulfonic acid 4-benzylaminesulfonic acid: structure given in first source	1.97	1	0
isochorismic acid isochorismic acid: structure given in first source	2.25	1	0	5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
1,2,3,4-tetrahydroisoquinoline carboxylic acid 1,2,3,4-tetrahydroisoquinoline carboxylic acid: RN given refers to cpd with locants as specified	2.43	2	0
n-bromoacetyl-4-azido-l-phenylalanine methyl ester [no description available]	1.95	1	0
maltotriose Porcelite: a light-cured composite resin. alpha-maltotriose : A maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose ring form and has alpha configuration at the anomeric carbon atom..	2.7	3	0	maltotriose trisaccharide	human metabolite
glycyl-glycyl-valine [no description available]	2.05	1	0	oligopeptide
carbocysteine Carbocysteine: A compound formed when iodoacetic acid reacts with sulfhydryl groups in proteins. It has been used as an anti-infective nasal spray with mucolytic and expectorant action.. S-carboxymethyl-L-cysteine : An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group.	5.27	9	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
phenylalanyl adenylate phenylalanyl adenylate: RN given refers to (L)-isomer	2.89	4	0
6-nitro-3-phenylacetamidobenzoic acid 6-nitro-3-phenylacetamidobenzoic acid: structure	2.01	1	0
n-propyl 2-pyridyl disulfide [no description available]	1.97	1	0
sq 14,603 2-benzyl-3-mercaptopropanoic acid: structure; carboxypeptidase inhibitor	1.98	1	0
3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)n-hydroxy-5-methylhexanamide 3-((benzyl)(methylaminocarbonyl)methylaminocarbonyl)N-hydroxy-5-methylhexanamide: structure in first source	1.99	1	0
8-chloro-fad [no description available]	2	1	0
arginine chloromethyl ketone [no description available]	1.96	1	0
cp 100356 CP 100356: modulates multidrug resistance; structure in first source	1.98	1	0
4-nitrophenyl phosphonate 4-nitrophenyl phosphonate: catalyzes hydrolysis of p-nitrophenyl esters	2.02	1	0
bmy 7378 [no description available]	2.41	2	0
sorafenib [no description available]	2.59	2	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
lenalidomide [no description available]	6.19	3	2	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
s-benzylcysteine [no description available]	1.96	1	0
demecolcine Demecolcine: An alkaloid isolated from Colchicum autumnale L. and used as an antineoplastic.. (-)-demecolcine : A secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic.	1.98	1	0	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent
cholic acid Cholic Acid: A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion.. cholic acid : A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.	2.01	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
erythritol [no description available]	2.35	2	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
deoxycholic acid Deoxycholic Acid: A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.. deoxycholic acid : A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively.	4.84	11	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
estradiol 3-benzoate 17beta-estradiol 3-benzoate : A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol.	2.11	1	0	17beta-hydroxy steroid; benzoate ester	estrogen receptor agonist; xenoestrogen
cortisone [no description available]	5.04	10	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
cellulose triacetate cellulose triacetate: for hemodialysis filtration	1.95	1	0
3-nitrotyrosine 3-nitrotyrosine: RN given refers to parent cpd without isomeric designation. 3-nitrotyrosine : A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.	3.29	6	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.	2	1	0	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product
epitrate (S)-adrenaline : The S-enantiomer of adrenaline.	3.84	11	0	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
pheophorbide a pheophorbide a: split product of chlorophyll obtained by saponification of pheophytin	2.07	1	0
anisomycin Anisomycin: An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.. (-)-anisomycin : An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system.	3.07	5	0	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	5.52	12	0
withaferin a withaferin A: an antiestrogen and phytogenic antineoplastic agent isolated from leaves of Withania somnifera Dun.; structure. withaferin A : A withanolide that is 5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione substituted by hydroxy groups at positions 4 and 27 (the 4beta,5beta,6beta,22R stereoisomer). Isolated from Physalis longifolia, it exhibits cytotoxic activity.	1.95	1	0	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer
phenethicillin phenethicillin: minor descriptor (85); major descriptor (63-84); on-line search PENICILLIN, PHENOXYMETHYL/AA (66-85); Index Medicus search PHENETHICILLIN (63-84); RN given refers to (2S-(2alpha,5alpha,6beta))-isomer. phenethicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-phenoxypropanamido group.	2.1	1	0	penicillin allergen; penicillin
wortmannin [no description available]	3.63	9	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
withanolides Withanolides: Ergostane derivatives of 28 carbons with oxygens at C1, C22, and C26 positions and the side chain cyclized. They are found in WITHANIA plant genus and have cytotoxic and other effects.	1.95	1	0
5-fluoropyrimidin-2-one beta-ribofuranoside [no description available]	2	1	0
glycyl-glycyl-sarcosine glycyl-glycyl-sarcosine: structure given in first source	2.05	1	0
arphamenine b arphamenine B: from Chromobacterium violaceum; structure given in second source	1.96	1	0
stearyl tyrosine stearyl tyrosine: RN given refers to parent cpd (L)-isomer	1.98	1	0
trimethoprim, sulfamethoxazole drug combination Trimethoprim, Sulfamethoxazole Drug Combination: A drug combination with broad-spectrum antibacterial activity against both gram-positive and gram-negative organisms. It is effective in the treatment of many infections, including PNEUMOCYSTIS PNEUMONIA in AIDS.. co-trimoxazole : A two-component mixture comprising trimethoprim and sulfamethoxazole.	2.66	3	0
10-ketostearic acid 10-ketostearic acid: structure in first source	2.01	1	0	long-chain fatty acid
o-(chloroacetylcarbamoyl)fumagillol O-(Chloroacetylcarbamoyl)fumagillol: Semisynthetic analog of fumagillin (a cyclohexane-sesquiterpene antibiotic isolated from ASPERGILLUS FUMIGATUS) that inhibits angiogenesis.. O-(chloroacetylcarbamoyl)fumagillol : A carbamate ester that is fumagillol in which the hydroxy group has been converted to the corresponding N-(chloroacetyl)carbamate derivative.	5.44	4	0	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist
bortezomib [no description available]	3.02	4	0	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
ritonavir Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.	2.43	2	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
dihydropyridines Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position.	3.1	5	0
4-2-Aminoethyl-morpholine [no description available]	4.19	16	0	morpholines
permanganate [no description available]	2.75	3	0	manganese oxoacid
leupeptins Leupeptins: A group of acylated oligopeptides produced by Actinomycetes that function as protease inhibitors. They have been known to inhibit to varying degrees trypsin, plasmin, KALLIKREINS, papain and the cathepsins.	2.39	2	0
carboplatin [no description available]	1.99	1	0
nsc 259,968 bouvardin: cyclic hexapeptide from plant Bouvardia ternifolia	1.96	1	0
anatoxin a anatoxin a: found in Anabaena; was indexed to cyanobacterial toxin (MARINE TOXINS) 1978-2006; also see anatoxin-a(s)	2.98	4	0	tropane alkaloid
lithium chloride Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion.	2.37	2	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
leptomycin b [no description available]	2.02	1	0
s-adenosylhomocysteine S-Adenosylhomocysteine: 5'-S-(3-Amino-3-carboxypropyl)-5'-thioadenosine. Formed from S-adenosylmethionine after transmethylation reactions.. S-adenosyl-L-homocysteine : An organic sulfide that is the S-adenosyl derivative of L-homocysteine.	2.43	2	0	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
glyceraldehyde 3-phosphate Glyceraldehyde 3-Phosphate: An aldotriose which is an important intermediate in glycolysis and in tryptophan biosynthesis.. glyceraldehyde 3-phosphate : An aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms.	2.41	1	0	glyceraldehyde 3-phosphate	mouse metabolite
5'-methylthioadenosine 5'-methylthioadenosine: structure. 5'-S-methyl-5'-thioadenosine : Adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group.	2.5	2	0	thioadenosine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycogen glycogen : A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues.	14.43	35	4
sorbose sorbopyranose : The pyranose form of sorbose.. L-sorbopyranose : The L-stereoisomer of sorbopyranose.	2.64	3	0	L-sorbose; sorbopyranose
arabinose [no description available]	3.57	3	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
n-acetylneuraminic acid N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl.	2.75	3	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
fibrin Fibrin: A protein derived from FIBRINOGEN in the presence of THROMBIN, which forms part of the blood clot.	3.08	5	0	peptide
bradykinin [no description available]	7.92	61	0	oligopeptide	human blood serum metabolite; vasodilator agent
canavanine L-canavanine : A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic.	4.43	23	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
amylopectin Amylopectin: A highly branched glucan in starch.. amylopectin : A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues.	1.95	1	0
hexacyanoferrate iii hexacyanoferrate III: RN given refers to parent cpd	3.1	5	0
glucosamine D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2.	6.48	36	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
n-acetylglucosamine 6-phosphate [no description available]	1.99	1	0	phospho sugar
elastin [no description available]	8.94	13	0	oligopeptide
carnosine polaprezinc: stimulates bone growth	3.07	5	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.	5.58	14	0	3,5-dihydroxy-3-methylpentanoic acid
naringenin (S)-naringenin : The (S)-enantiomer of naringenin.	3.92	4	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
epiglucan epiglucan: a highly side-chain/branched alkali-insoluble cell wall glucan from fungus such as Epicoccum nigrum, Botrytis cinerea, ascomycetes & basidiomycetes; also isolated S-4001 from Lei Wan (polyporus mylitiae), HA-beta-glucan from mushroom Pleutotus ostreatus (Fr.) Quel., and translam from seaweed Laminaria cichorioides; with commercially important functional properties including emulsification and friction reduction.	2.05	1	0
diaminopimelic acid Diaminopimelic Acid: A diamino derivative of heptanedioic acid with amino groups at C-2 and C-6 and the general formula (COOH)CH(NH2)CH2CH2CH2CH(NH2)(COOH).. LL-2,6-diaminopimelic acid : A 2,6-diaminopimelic acid in which both chiral centres have S configuration. It is a component of bacterial cell wall.	1.95	1	0	2,6-diaminopimelic acid; amino acid zwitterion	Escherichia coli metabolite
oxytocin Oxytocin: A nonapeptide hormone released from the neurohypophysis (PITUITARY GLAND, POSTERIOR). It differs from VASOPRESSIN by two amino acids at residues 3 and 8. Oxytocin acts on SMOOTH MUSCLE CELLS, such as causing UTERINE CONTRACTIONS and MILK EJECTION.. oxytocin : A cyclic nonapeptide hormone with amino acid sequence CYIQNCPLG that also acts as a neurotransmitter in the brain; the principal uterine-contracting and milk-ejecting hormone of the posterior pituitary. Together with the neuropeptide vasopressin, it is believed to influence social cognition and behaviour.	7.89	37	1	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
pantetheine Pantetheine: An intermediate in the pathway of coenzyme A formation in mammalian liver and some microorganisms.. pantetheine : An amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine.	7.94	4	0	pantetheines; thiol	human metabolite; metabolite; mouse metabolite
dithioerythritol [no description available]	1.95	1	0	1,4-dimercaptobutane-2,3-diol	reducing agent
tryptophanamide tryptophanamide: used as inhibitor of chymotrypsin; RN given refers to cpd with unspecified isomeric designation. L-tryptophanamide : An amino acid amide that is the carboxamide of L-tryptophan.	2.37	2	0	amino acid amide; tryptophan derivative	human metabolite
theanine theanine: RN given refers to (L)-isomer; precursor of ethylamine; found in green tea. N(5)-ethyl-L-glutamine : A N(5)-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea.	2.21	1	0	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite
inositol 1,4,5-trisphosphate Inositol 1,4,5-Trisphosphate: Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.	2.69	3	0	myo-inositol trisphosphate	mouse metabolite
cysteinylglycine cysteinylglycine: RN given refers to (L)-isomer; RN for cpd without isomeric designation not in Chemlne 7/13/83. L-cysteinylglycine : A dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism.	2.05	1	0	dipeptide zwitterion; dipeptide	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
glutamyl-glutamic acid glutamyl-glutamic acid: RN given for (L,L)-isomer. Glu-Glu : A dipeptide composed of two L-glutamic acid units joined by a peptide linkage.	2.05	1	0	dipeptide	Mycoplasma genitalium metabolite
ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.	4.79	33	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
casein hydrolysate casein hydrolysate: an ingredient of trypticase soy broth; casitone is a tryptic digest of casein	5.37	5	1
D-leucine [no description available]	2.46	2	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; leucine	bacterial metabolite; Saccharomyces cerevisiae metabolite
puromycin [no description available]	10.29	445	0	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor
taxifolin (+)-taxifolin : A taxifolin that has (2R,3R)-configuration.	2.52	2	0	taxifolin	metabolite
desmosterol Desmosterol: An intermediate in the synthesis of cholesterol.. desmosterol : A cholestanoid that is cholesta-5,24-diene substituted by a beta-hydroxy group at position 3. It is an intermediate metabolite obtained during the synthesis of cholesterol.	6.94	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C27-steroid; cholestanoid	human metabolite; mouse metabolite
cellotetraose cellotetraose: RN given refers to (beta-D)-isomer. cellotetraose : A glucotetrose comprised of four D-glucose residues connected by beta(1->4) linkages.	2.31	1	0	glucotetraose
maltotetraose alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp : A maltotetraose tetrasaccharide consisting of three alpha-D-glucopyranose residues and a D-glucopyranose residue joined in sequence by (1->4) glycosidic bonds.	2.31	1	0	maltotetraose tetrasaccharide
tosylphenylalanyl chloromethyl ketone Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.	3.48	8	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
tartaric acid tartaric acid: RN given refers to cpd with unspecified isomeric designation. D-tartaric acid : The D-enantiomer of tartaric acid.	2.93	4	0	tartaric acid	Escherichia coli metabolite
alpha-aminobutyric acid alpha-aminobutyric acid: RN given refers to cpd without isomeric designation. alpha-aminobutyric acid : An alpha-amino acid that is butyric acid bearing a single amino substituent located at position 2.. D-alpha-aminobutyric acid : An optically active form of alpha-aminobutyric acid having D-configuration.	7.65	3	0	alpha-aminobutyric acid; D-alpha-amino acid
monoiodotyrosine Monoiodotyrosine: A product from the iodination of tyrosine. In the biosynthesis of thyroid hormones (THYROXINE and TRIIODOTHYRONINE), tyrosine is first iodized to monoiodotyrosine.. iodotyrosine : A tyrosine derivative which has at least one iodo-substituent on the benzyl moiety.. monoiodotyrosine : An iodotyrosine carrying a single iodo substituent.. 3-iodo-L-tyrosine : The monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group.	5.41	20	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
n-formylmethionine N-formyl-L-methionine : A L-methionine derivative in which one of the hydrogens attached to the nitrogen is replaced by a formyl group.	4.2	18	0	L-methionine derivative; N-formyl amino acid; proteinogenic amino acid	metabolite
nitroarginine Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6). N(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.	7.4	2	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
trimethyllysine trimethyllysine: stimulates growth of tumor cells; RN given refers to (S)-isomer	1.96	1	0	alpha-amino-acid cation	human metabolite; mouse metabolite
adenosine 5'-phosphoramidate adenosine 5'-phosphoramidate : The phosphoramadite analogue of AMP.	2.01	1	0	organic phosphoramidate	Mycoplasma genitalium metabolite
adenosine 5'-o-(3-thiotriphosphate) adenosine 5'-O-(3-thiotriphosphate): RN given refers to cpd with unspecified locant for thio group; see also records for 1-thio & 2-thio-isomers. adenosine 5'-[gamma-thio]triphosphate : A nucleoside triphosphate analogue that is ATP in which one of the oxygens attached to 3-phosphate group is replaced by sulfur.	1.98	1	0	nucleoside triphosphate analogue
eriodictyol eriodictyol: structure. eriodictyol : A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively.	2.05	1	0	3'-hydroxyflavanones; tetrahydroxyflavanone
cellulase Cellulase: An endocellulase with specificity for the hydrolysis of 1,4-beta-glucosidic linkages in CELLULOSE, lichenin, and cereal beta-glucans.. beta-cellotriose : A cellotriose with a beta-configuration at the anomeric position.	3.15	5	0	cellotriose
strychnine Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison.. strychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.	8.57	9	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
quinidine Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.. quinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.	7.91	4	0	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker
griseofulvin Griseofulvin: An antifungal agent used in the treatment of TINEA infections.. griseofulvin : An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment.	2.05	1	0	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
actinorhodin actinorhodin: structure. actinorhodin : A member of the class of benzoisochromanequinone that is produced by Streptomyces coelicolor A3(2) and exhibits antibiotic activity.	2.15	1	0
monensin Monensin: An antiprotozoal agent produced by Streptomyces cinnamonensis. It exerts its effect during the development of first-generation trophozoites into first-generation schizonts within the intestinal epithelial cells. It does not interfere with hosts' development of acquired immunity to the majority of coccidial species. Monensin is a sodium and proton selective ionophore and is widely used as such in biochemical studies.. monensin A : A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle.	2.37	2	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
cefoxitin Cefoxitin: A semisynthetic cephamycin antibiotic resistant to beta-lactamase.. cefoxitin : A semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta-lactamase.	2.37	2	0	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
digitoxin Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665). digitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain.	1.94	1	0	cardenolide glycoside	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
saquinavir Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.	2	1	0	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor
pentazocine Pentazocine: The first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)	3.33	1	1	benzazocine
pancuronium Pancuronium: A bis-quaternary steroid that is a competitive nicotinic antagonist. As a neuromuscular blocking agent it is more potent than CURARE but has less effect on the circulatory system and on histamine release.. pancuronium : A steroid ester in which a 5alpha-androstane skeleton is C-3alpha- and C-17beta-disubstituted with acetoxy groups and 2beta- and 16beta-disubstituted with 1-methylpiperidinium-1-yl groups. It is a non-depolarizing curare-mimetic muscle relaxant.	1.95	1	0	acetate ester; steroid ester	cholinergic antagonist; muscle relaxant; nicotinic antagonist
miglitol [no description available]	5.8	3	2	piperidines
7-aminocephalosporanic acid 7beta-aminocephalosporanic acid : The alpha,beta-unsaturated monocarboxylic acid that is the active nucleus for the synthesis of cephalosporins and intermediates.	2.05	1	0	alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion
linezolid [no description available]	2.03	1	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
2,5-dihydrophenylalanine 2,5-dihydrophenylalanine: structure	3.49	8	0	non-proteinogenic L-alpha-amino acid
norpseudoephedrine norpseudoephedrine: major metabolite of diethylpropion in man under acidic urine conditions; RN given refers to cpd without isomeric designation;. cathine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1S,2S-stereoisomer).	2.1	1	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
indican [no description available]	2.38	2	0	beta-D-glucoside; exopolysaccharide; indolyl carbohydrate
micheliolide micheliolide: has antineoplastic activity; structure in first source	2.41	1	0	sesquiterpene lactone
genipin [no description available]	2.44	2	0	iridoid monoterpenoid	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor
naringin [no description available]	2.17	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
ochratoxin a ochratoxin A: structure in first source & in Merck, 9th ed, #6549. ochratoxin A : A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.	5.8	29	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
yatein yatein: isolated from Anthriscus sylvestris; structure in first source. dihydroanhydropodorhizol : A member of the class of butan-4-olides carrying 3,4,5-trimethoxybenzyl and (1,3-benzodioxol-5-yl)methyl substituents at positions 3 and 4 respectively.	2.01	1	0	benzodioxoles; butan-4-olide; lignan; methoxybenzenes	plant metabolite
lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	5.15	8	0
s-octylglutathione [no description available]	2.02	1	0
bq 123 cyclo(Trp-Asp-Pro-Val-Leu): derived from the modification of a natural lead of BE-18257B, an endothelin A receptor antagonist; has neuroprotective activity; amino acid sequence given in first source	3.6	3	0	cyclic peptide
n-formylmethionine leucyl-phenylalanine N-Formylmethionine Leucyl-Phenylalanine: A formylated tripeptide originally isolated from bacterial filtrates that is positively chemotactic to polymorphonuclear leucocytes, and causes them to release lysosomal enzymes and become metabolically activated.. N-formyl-L-methionyl-L-leucyl-L-phenylalanine : A tripeptide composed of L-Met, L-Leu and L-Phe in a linear sequence with a formyl group at the amino terminus. It acts as a potent inducer of leucocyte chemotaxis and macrophage activator as well as a ligand for the FPR receptor.	3.25	6	0	tripeptide
phenylalanine arginine beta-naphthylamide phenylalanine arginine beta-naphthylamide: a drug efflux pump inhibitor; structure in first source	2.31	1	0	peptide
devazepide Devazepide: A derivative of benzodiazepine that acts on the cholecystokinin A (CCKA) receptor to antagonize CCK-8's (SINCALIDE) physiological and behavioral effects, such as pancreatic stimulation and inhibition of feeding.. devazepide : An indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders.	3.49	8	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
teprotide Teprotide: A synthetic nonapeptide (Pyr-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro) which is identical to the peptide from the venom of the snake, Bothrops jararaca. It inhibits kininase II and ANGIOTENSIN I and has been proposed as an antihypertensive agent.	2.36	2	0	peptide
diprenorphine Diprenorphine: A narcotic antagonist similar in action to NALOXONE. It is used to remobilize animals after ETORPHINE neuroleptanalgesia and is considered a specific antagonist to etorphine.	2.68	3	0	morphinane alkaloid
validamycin a validamycin A : A member of the class of validamycins that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which the hydroxy group at position 1 has been converted to its beta-D-glucoside and in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It is the major validamycin produced by Streptomyces hygroscopicus.	2.06	1	0	antibiotic fungicide; polyol; secondary amino compound; validamycins	antifungal agrochemical; EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor; EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor; EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor
lycoramine lycoramine: structure in first source	2.1	1	0	benzazepine
temocapril hydrochloride temocapril hydrochloride: structure given in first source	2.02	1	0	dipeptide
tolterodine [no description available]	2.1	1	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
ergonovine Ergonovine: An ergot alkaloid (ERGOT ALKALOIDS) with uterine and VASCULAR SMOOTH MUSCLE contractile properties.. ergometrine : A monocarboxylic acid amide that is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced.	1.94	1	0	ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound	diagnostic agent; fungal metabolite; oxytocic; toxin
vinpocetine vinpocetine: whole issue of Arzneim Forsch (23 articles) discuss this drug; Arzneim Forsch 26(10a);1976; RN given refers to parent cpd with unspecified isomeric designation	2.1	1	0	alkaloid	geroprotector
ao 128 AO 128: alpha-glucosidase inhibitor; structure given in first source	7.14	10	3	organic molecular entity
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	6.36	49	0	cyclodextrin
maleic acid maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid. maleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration.	2.67	3	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
acetyl coenzyme a Acetyl Coenzyme A: Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent.	4.79	10	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
e-z cinnamic acid cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid	6.64	39	0	cinnamic acid	plant metabolite
tapi-2 TAPI-2: analog of TAPI inhibitor with the naphthyl-alanine side chain replaced by a tert-butyl group	2.4	2	0
ergosterol [no description available]	1.95	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
trichostatin a trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES	2.9	2	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
cp 320626 CP 320626: structure in first source	2.01	1	0
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	3.73	10	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
equilenin Equilenin: An estrogenic steroid produced by HORSES. It has a total of five double bonds in the A- and B-ring. High concentration of equilenin is found in the URINE of pregnant mares.. equilenin : A 3-hydroxy steroid that is estrone which carries two double bonds at positions 6 and 8. It is found in the urine of pregnant mare's and extensively used for estrogen replacement therapy in postmenopausal women.	2	1	0	17-oxo steroid; 3-hydroxy steroid	antioxidant; mammalian metabolite
arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.	5.06	13	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
alpha-cyclodextrin alpha-cyclodextrin : A cycloamylose composed of six alpha-(1->4) linked D-glucopyranose units.	3.52	8	0	cyclodextrin
fumaric acid fumaric acid: see also record for ferrous fumarate; use FUMARATES for general fumaric acid esters. fumaric acid : A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.	2.01	1	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
farnesol Farnesol: A colorless liquid extracted from oils of plants such as citronella, neroli, cyclamen, and tuberose. It is an intermediate step in the biological synthesis of cholesterol from mevalonic acid in vertebrates. It has a delicate odor and is used in perfumery. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). (2-trans,6-trans)-farnesol : The (2-trans,6-trans)-stereoisomer of farnesol.. farnesol : A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1.	2.01	1	0	farnesol	plant metabolite
phosphoramidon phosphoramidon: a membrane metallo-endopeptidase & endothelin-converting enzyme inhibitor; thermolysin inhibitor from culture filtrate of Streptomyces tanashiensis; structure. phosphoramidon : A dipeptide isolated from the cultures of Streptomyces tanashiensis.	4.59	8	0	deoxyaldohexose phosphate; dipeptide	bacterial metabolite; EC 3.4.24.11 (neprilysin) inhibitor; EC 3.4.24.71 (endothelin-converting enzyme 1) inhibitor
3-hydroxy-3-methylglutaryl-coenzyme a 3-hydroxy-3-methylglutaryl-coenzyme A: RN given refers to cpd without isomeric designation. 3-hydroxy-3-methylglutaryl-CoA : An alpha,omega dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid.. (3S)-3-hydroxy-3-methylglutaryl-CoA : A 3-hydroxy-3-methylglutaryl-CoA where the 3-hydroxy-3-methylglutaryl component has (S)-configuration.	1.97	1	0	3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA	human metabolite; mouse metabolite
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	3.77	9	0	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).	4.87	11	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
ribothymidine ribothymidine : A methyluridine having a single methyl substituent at the 5-position on the uracil ring.	1.95	1	0	methyluridine	antigen; Escherichia coli metabolite; human metabolite
oleic acid Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.	11.27	18	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
tacrolimus Tacrolimus: A macrolide isolated from the culture broth of a strain of Streptomyces tsukubaensis that has strong immunosuppressive activity in vivo and prevents the activation of T-lymphocytes in response to antigenic or mitogenic stimulation in vitro.. tacrolimus (anhydrous) : A macrolide lactam containing a 23-membered lactone ring, originally isolated from the fermentation broth of a Japanese soil sample that contained the bacteria Streptomyces tsukubaensis.	3.86	4	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
phenylalanine amide phenylalanine amide: inhibits an isoenzyme of alkaline phosphatase; RN given for cpd without isomeric designation. L-phenylalanine amide : An amino acid amide derived from L-phenylalanine.	5.31	21	0	amino acid amide; phenylalanine derivative
farnesyl pyrophosphate farnesyl pyrophosphate: a sesquiterpene that dimerizes to SQUALENE; RN given refers to cpd without isomeric designation. 2-trans,6-trans-farnesyl diphosphate : The trans,trans-stereoisomer of farnesyl diphosphate.	2.02	1	0	farnesyl diphosphate	Escherichia coli metabolite; mouse metabolite
ferulic acid ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.	5.05	7	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
pectins Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid.	2.95	4	0	D-galactopyranuronic acid
1,5-dihydro-fad 1,5-dihydro-FAD: chromophore component of E coli DNA photolyase	2.02	1	0	flavin adenine dinucleotide	Escherichia coli metabolite; mouse metabolite
cerivastatin cerivastatin: cerivastatin is the ((E)-(+))-isomer; structure given in first source. cerivastatin : (3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity.	2.01	1	0	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.	6.01	15	2	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
eicosapentaenoic acid icosapentaenoic acid : Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds.. all-cis-5,8,11,14,17-icosapentaenoic acid : An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17.	2.43	2	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
thapsigargin Thapsigargin: A sesquiterpene lactone found in roots of THAPSIA. It inhibits SARCOPLASMIC RETICULUM CALCIUM-TRANSPORTING ATPASES.. thapsigargin : An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations.	7.93	4	0	butyrate ester; organic heterotricyclic compound; sesquiterpene lactone	calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
cgs 27023a CGS 27023A: a matrix metalloproteinase inhibitor	4.35	6	0
mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.	2.42	2	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
tetragastrin Tetragastrin: L-Tryptophyl-L-methionyl-L-aspartyl-L-phenylalaninamide. The C-terminal tetrapeptide of gastrin. It is the smallest peptide fragment of gastrin which has the same physiological and pharmacological activity as gastrin.. tetragastrin : A tetrapeptide composed of L-tryptophan, L-methione, L-aspartic acid and L-phenylalaninamide residues joined in sequence.	1.99	1	0	peptidyl amide; tetrapeptide	anxiogenic; human metabolite
glutaryl-7-aminocephalosporanic acid glutaryl-7-aminocephalosporanic acid: structure given in first source; product of the enzymatic oxidation of cephalosporin C using D-amino-acid oxidase	2.05	1	0	cephalosporin
clindamycin Clindamycin: An antibacterial agent that is a semisynthetic analog of LINCOMYCIN.. clindamycin : A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic.	2.38	2	0
keratan sulfate Keratan Sulfate: A sulfated mucopolysaccharide initially isolated from bovine cornea. At least two types are known. Type I, found mostly in the cornea, contains D-galactose and D-glucosamine-6-O-sulfate as the repeating unit; type II, found in skeletal tissues, contains D-galactose and D-galactosamine-6-O-sulfate as the repeating unit.. keratan sulfate : A sulfated glycosaminoglycan, a linear polymer that consists of the repeating disaccharide [3)-beta-Gal-(1->4)-beta-GlcNAc-(1->] and containing sulfo groups located at random positions.. keratan 6'-sulfate : A keratan sulfate with random sulfation at the 6'-position.	2	1	0
gw 6471 GW 6471: a PPARalpha antagonist; structure in first source	2.08	1	0
5-hydroxyferulic acid 5-hydroxyferulic acid : Ferulic acid in which the ring hydrogen at position 5 is substituted by a hydroxy group.. (E)-5-hydroxyferulic acid : The E-isomer of 5-hydroxyferulic acid.	3.11	1	0	5-hydroxyferulic acid
fosfomycin Fosfomycin: An antibiotic produced by Streptomyces fradiae.. fosfomycin : A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus.	2.03	1	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax Azithromycin: A semi-synthetic macrolide antibiotic structurally related to ERYTHROMYCIN. It has been used in the treatment of Mycobacterium avium intracellulare infections, toxoplasmosis, and cryptosporidiosis.. azithromycin : A macrolide antibiotic useful for the treatment of bacterial infections.	2.6	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
formycin [no description available]	2.17	1	0	formycin	antineoplastic agent
phenylalaninol phenylalaninol: inhibits intestinal absorption of phenylalanine; RN given refers to cpd with unspecified stereochemistry. L-phenylalaninol : An amino alcohol resulting from the formal reduction of the carboxy group of L-phenylalanine to the corresponding alcohol.	4.58	25	0	amino alcohol; amphetamines; primary alcohol; primary amino compound
geranylgeranyl pyrophosphate geranylgeranyl pyrophosphate: RN given refers to (E,E,E)-isomer. geranylgeranyl diphosphate : A polyprenol diphosphate having geranylgeranyl as the polyprenyl component.. 2-trans,6-trans,10-trans-geranylgeranyl diphosphate : The all-trans-isomer of geranylgeranyl diphosphate.	2.01	1	0	geranylgeranyl diphosphate	mouse metabolite
apstatin apstatin: inhibits aminopeptidase P; structure given in first source	2.02	1	0
2-butenal crotonaldehyde : An enal consisting of propene having a formyl group at the 1-position.	2.05	1	0	enal
phenylalanyl-prolyl-arginine [no description available]	2	1	0	oligopeptide
y 27632 Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source. Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.	2.74	3	0	aromatic amide
prostaglandin d2 Prostaglandin D2: The principal cyclooxygenase metabolite of arachidonic acid. It is released upon activation of mast cells and is also synthesized by alveolar macrophages. Among its many biological actions, the most important are its bronchoconstrictor, platelet-activating-factor-inhibitory, and cytotoxic effects.. prostaglandin D2 : A member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer).	2.03	1	0	prostaglandins D	human metabolite; mouse metabolite
diethylstilbestrol Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). diethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.	2.87	4	0	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen
benzene-1,3,5-tricarboxamide benzene-1,3,5-tricarboxamide: structure in first source	2.07	1	0
n-acetylmethionine N-acetylmethionine: RN given refers to L-isomer. N-acetylmethionine : A methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group.	2.67	3	0	L-methionine derivative; N-acetyl-L-amino acid; N-acetylmethionine	nutraceutical
isoleucylvaline isoleucylvaline: RN given refers to all (L)-isomer. Ile-Val : A dipeptide formed from L-isoleucine and L-valine residues.	1.97	1	0	dipeptide	metabolite
imidazolidines [no description available]	2.04	1	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
dioxirane [no description available]	2.13	1	0
aclarubicin Aclarubicin: An anthracycline produced by Streptomyces galilaeus. It has potent antineoplastic activity.. aclacinomycin A : An anthracycline antibiotic that is produced by Streptomyces galilaeus and also has potent antineoplastic activity.	2.01	1	0	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
thymopentin Thymopentin: Synthetic pentapeptide corresponding to the amino acids 32-36 of thymopoietin and exhibiting the full biological activity of the natural hormone. It is an immunomodulator which has been studied for possible use in the treatment of rheumatoid arthritis, AIDS, and other primary immunodeficiencies.	2.01	1	0	oligopeptide
colfosceril palmitate colfosceril palmitate: used in the treatment of unilateral pulmonary interstitial emphysema; component of Exosurf. 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine : A phosphatidylcholine 32:0 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl). A synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of pulmonary surfactants.	2.8	3	0	1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:0	mouse metabolite; surfactant
iridoids Iridoids: A type of MONOTERPENES, derived from geraniol. They have the general form of cyclopentanopyran, but in some cases, one of the rings is broken as in the case of secoiridoid. They are different from the similarly named iridals (TRITERPENES).	2.76	3	0
cefamandole Cefamandole: Semisynthetic wide-spectrum cephalosporin with prolonged action, probably due to beta-lactamase resistance. It is used also as the nafate.. cefamandole : A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups.	2.1	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
dactinomycin Dactinomycin: A compound composed of a two CYCLIC PEPTIDES attached to a phenoxazine that is derived from STREPTOMYCES parvullus. It binds to DNA and inhibits RNA synthesis (transcription), with chain elongation more sensitive than initiation, termination, or release. As a result of impaired mRNA production, protein synthesis also declines after dactinomycin therapy. (From AMA Drug Evaluations Annual, 1993, p2015)	9.18	214	0	actinomycin	mutagen
gamma-sitosterol clionasterol : A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3.	1.98	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols	marine metabolite; plant metabolite
tiazofurin tiazofurin: RN given refers to (beta-D)-isomer; structure given in first source. tiazofurine : A C-glycosyl compound that is 1,3-thiazole-4-carboxamide in which the hydrogen at position 2 has been replaced by a beta-D-ribofuranosyl group. It is metabolised to thiazole-4-carboxamide adenine dinucleotide (TAD), a selective inhibitor of inosine monophosphate dehydrogenase (IMP dehydrogenase).	2.02	1	0	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug
azaserine Azaserine: Antibiotic substance produced by various Streptomyces species. It is an inhibitor of enzymatic activities that involve glutamine and is used as an antineoplastic and immunosuppressive agent.. azaserine : A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species.	3.74	11	0	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	12.75	70	6	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
enkephalin, leucine Enkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.. Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties.	9.79	94	1	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
prinomastat prinomastat: a diazepine-based hydroxamic acid inhibitor; matrix metalloproteinase (MMP) inhibitor; angiogenesis inhibitor;. prinomastat : A hydroxamic acid that is (3S)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide in which the hydrogen attached to the thiomorpholine nitrogen has been replaced by a [4-(pyridin-4-yloxy)phenyl]sulfonyl group. It is a selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14.	4.3	3	0	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor
posaconazole [no description available]	2.07	1	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
carbobenzoxyphenylalanyl-phenylalanyl-glycine carbobenzoxyphenylalanyl-phenylalanyl-glycine: RN given refers to (D)-Phe-(L)PheGly cpd; blocking group is on the amino-terminus	2	1	0
streptothricins Streptothricins: A group of antibiotic aminoglycosides differing only in the number of repeating residues in the peptide side chain. They are produced by Streptomyces and Actinomyces and may have broad spectrum antimicrobial and some antiviral properties.. streptothricin : An N-glycosyl compound consisting of 2-amino-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]-beta-D-gulopyranosylamine in which the amino group at position 2 of the gulopyranosyl moiety is acylated by a peptide unit made up of between 1 and 7 N(epsilon)-linked units of beta-lysine.	1.95	1	0
shikonin shikonin: a naphthazarin; has antineoplastic and angiogenesis inhibiting activities	2.49	2	0	hydroxy-1,4-naphthoquinone
vmip-ii vMIP-II: encoded by Kaposi's sarcoma-associated herpesvirus; chemokine that blocks calcium mobilization induced by endogenous chemokines; binds to both CC and CXC chemokine receptors; amino acid sequence in first source; GenBank U67775	2	1	0
favipiravir favipiravir : A member of the class of pyrazines that is pyrazine substituted by aminocarbonyl, hydroxy and fluoro groups at positions 2, 3 and 6, respectively. It is an anti-viral agent that inhibits RNA-dependent RNA polymerase of several RNA viruses and is approved for the treatment of influenza in Japan.	2.52	2	0	hydroxypyrazine; organofluorine compound; primary carboxamide	anticoronaviral agent; antiviral drug; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor
riboflavin vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms).	4.31	20	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
2'-c-methylcytidine 2'-C-methylcytidine: structure in first source	2.1	1	0
tyrosine o-sulfate O(4')-sulfo-L-tyrosine : An O-sulfoamino acid that is L-tyrosine in which the phenolic hydrogen has been replaced by a sulfo group.	3.62	3	0	aryl sulfate; L-tyrosine derivative; O-sulfoamino acid	human metabolite
Phe-Tyr Phe-Tyr : A dipeptide formed from L-phenylalanine and L-tyrosine residues.	1.97	1	0	dipeptide	metabolite
potassium thiocyanate potassium thiocyanate: RN given refers to cpd with MF of K-CHNS. potassium thiocyanate : A potassium salt which is the monopotassium salt of thiocyanic acid.	2.02	1	0	potassium salt
potassium permanganate Potassium Permanganate: Permanganic acid (HMnO4), potassium salt. A highly oxidative, water-soluble compound with purple crystals, and a sweet taste. (From McGraw-Hill Dictionary of Scientific and Technical Information, 4th ed)	8.34	7	0
sodium bicarbonate Sodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.	2.37	2	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous Sodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.	2.06	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.	7.15	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
sodium cyanate sodium cyanate: used in treatment of sickle cell anemia; RN given refers to cyanic acid, Na salt	1.97	1	0	cyanate salt; one-carbon compound
ammonium acetate ammonium acetate : An ammonium salt obtained by reaction of ammonia with acetic acid. A deliquescent white crystalline solid, it has a relatively low melting point (114degreeC) for a salt. Used as a food acidity regulator, although no longer approved for this purpose in the EU.	2.92	4	0	acetate salt; ammonium salt	buffer; food acidity regulator
3-mercaptohexanol 3-mercaptohexanol: structure in first source. 3-mercaptohexanol : An alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.	2.07	1	0	alkanethiol; primary alcohol	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite
4,5-epoxy-2-decenal 4,5-epoxy-2-decenal: structure given in first source	2.03	1	0	enal
oxazolidine oxazolidine: structure given in first source	2.01	1	0	oxazolidine
bromochloroacetic acid Keratins: A class of fibrous proteins or scleroproteins that represents the principal constituent of EPIDERMIS; HAIR; NAILS; horny tissues, and the organic matrix of tooth ENAMEL. Two major conformational groups have been characterized, alpha-keratin, whose peptide backbone forms a coiled-coil alpha helical structure consisting of TYPE I KERATIN and a TYPE II KERATIN, and beta-keratin, whose backbone forms a zigzag or pleated sheet structure. alpha-Keratins have been classified into at least 20 subtypes. In addition multiple isoforms of subtypes have been found which may be due to GENE DUPLICATION.. bromochloroacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process.	3.98	14	0	2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound
11-mercaptoundecanoic acid [no description available]	2.07	1	0
calix(4)arene calix(4)arene: a cyclophane consisting of four phenolic units linked by methylene groups; structure in first source	3.15	5	0
tolfenamic acid tolfenamic acid: structure. tolfenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 3-chloro-2-methylphenyl group. Tolfenamic acid is used specifically for relieving the pain of migraine. It also shows anticancer activity.	1.97	1	0	aminobenzoic acid; organochlorine compound; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
andrimid andrimid: a peptide antibiotic; an anti-Bacillus compound in the marine sponge, Hyatella sp.	2.44	2	0
camalexin camalexin : An indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group.	3.1	1	0	1,3-thiazoles; indole phytoalexin	metabolite
trans-4-coumaric acid hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.	5.1	12	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
geraniol [no description available]	2.43	2	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
glycosides [no description available]	6.69	44	0
benzylideneacetone benzylideneacetone: RN given refers to cpd without isomeric; structure in Merck Index, 9th ed, #1153. trans-benzylideneacetone : The trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth.. benzylideneacetone : An enone in which a phenyl ring is attached to the beta-carbon atom of but-3-en-2-one. Although both cis- and trans-isomers are possible for the alpha,beta-unsaturated ketone, only the trans-isomer is observed.	2.01	1	0	benzylideneacetone	bacterial metabolite; EC 3.1.1.4 (phospholipase A2) inhibitor; flavouring agent; fragrance
chalcone trans-chalcone : The trans-isomer of chalcone.	7.52	2	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
sinapinic acid sinapinic acid: a matrix for matrix-assisted laser desorption technique for protein MW determination; a constituent of propolis. trans-sinapic acid : A sinapic acid in which the double bond has trans-configuration.	3.51	2	0	sinapic acid	MALDI matrix material; plant metabolite
isomethyleugenol Methylation: Addition of methyl groups. In histo-chemistry methylation is used to esterify carboxyl groups and remove sulfate groups by treating tissue sections with hot methanol in the presence of hydrochloric acid. (From Stedman, 25th ed)	10.01	98	2	isomethyleugenol
citral citral: Xref geranial: geraniol is also available; Xref neral: nerol is also available; vitamin A antagonist; oxygenated monoterpene; inhibits cytosolic dehydrogenases; structure. citral : An enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange.	2.42	2	0	enal; monoterpenoid; polyprenal	plant metabolite; volatile oil component
beta-ionone beta-ionone: stimulator of carotenogenesis; carotenoid inhibitor; intermediate in synthesis of Vit A; RN given refers to cpd without isomeric designation; structure. beta-ionone : An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4.	2.21	1	0	ionone	antioxidant; fragrance
retinaldehyde Retinaldehyde: A diterpene derived from the carotenoid VITAMIN A which functions as the active component of the visual cycle. It is the prosthetic group of RHODOPSIN (i.e., covalently bonded to ROD OPSIN as 11-cis-retinal). When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer.. all-trans-retinal : A retinal in which all four exocyclic double bonds have E- (trans-) geometry.	3.27	6	0	retinal; vitamin A	gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite
piperine piperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.	2.07	1	0	benzodioxoles; N-acylpiperidine; piperidine alkaloid; tertiary carboxamide	food component; human blood serum metabolite; NF-kappaB inhibitor; plant metabolite
squalene Addavax: an oil-water nanoemulsion and adjuvant containing squalene, Tween 80, and sorbitane trioleate	2.71	3	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	4.14	15	0	stilbene
phenyl-n-tert-butylnitrone phenyl-N-tert-butylnitrone: a spin-trapping agent	2	1	0
sorbic acid Sorbic Acid: Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses.. (2E,4E)-hexa-2,4-dienoic acid : A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity.. sorbic acid : A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring.	2.41	2	0	alpha,beta-unsaturated monocarboxylic acid; sorbic acid
flavin-adenine dinucleotide Flavin-Adenine Dinucleotide: A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972)	5.43	20	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
malonyl coenzyme a Malonyl Coenzyme A: A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems.. omega-carboxyacyl-CoA : An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of any alpha,omega-dicarboxylic acid.	3.36	6	0	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
buprenorphine Buprenorphine: A derivative of the opioid alkaloid THEBAINE that is a more potent and longer lasting analgesic than MORPHINE. It appears to act as a partial agonist at mu and kappa opioid receptors and as an antagonist at delta receptors. The lack of delta-agonist activity has been suggested to account for the observation that buprenorphine tolerance may not develop with chronic use.. buprenorphine : A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group. It is highly effective for the treatment of opioid use disorder and is also increasingly being used in the treatment of chronic pain.	2.03	1	0	morphinane alkaloid	delta-opioid receptor antagonist; kappa-opioid receptor antagonist; mu-opioid receptor agonist; opioid analgesic
lypressin Lypressin: The porcine antidiuretic hormone (VASOPRESSINS). It is a cyclic nonapeptide that differs from ARG-VASOPRESSIN by one amino acid, containing a LYSINE at residue 8 instead of an ARGININE. Lys-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE.	3.04	5	0	cyclic peptide
arginine vasopressin Arginine Vasopressin: The predominant form of mammalian antidiuretic hormone. It is a nonapeptide containing an ARGININE at residue 8 and two disulfide-linked cysteines at residues of 1 and 6. Arg-vasopressin is used to treat DIABETES INSIPIDUS or to improve vasomotor tone and BLOOD PRESSURE.. argipressin : The predominant form of mammalian vasopressin (antidiuretic hormone). It is a nonapeptide containing an arginine at residue 8 and two disulfide-linked cysteines at residues of 1 and 6.	6.13	25	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.	5.33	58	0	diphosphate ion
s 1033 [no description available]	2.07	1	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
triiodothyronine, reverse [no description available]	2.48	2	0	3,3',5'-triiodothyronine; amino acid zwitterion
dodecylphosphocholine dodecylphosphocholine: phospholipase A2 inhibitor; RN refers to chloride. dodecylphosphocholine : A phosphocholine that is the monododecyl ester of phosphocholine	2.06	1	0	phosphocholines	detergent
6-[(2-fluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone [no description available]	2.41	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
azidopine azidopine: structure given in first source	2.39	2	0	benzamides
amygdalin [no description available]	2.8	3	0
omapatrilat omapatrilat: structure in first source	2.02	1	0	dipeptide
polidocanol Polidocanol: An alkyl polyglycol ether of LAURYL ALCOHOL, chemically defined as an alcohol ethoxylate having an average alkyl chain of 12–14 carbon atoms, and an ethylene oxide chain of 9 ethylene oxide units. It is used as a detergent, and medically as a local anesthetic, and as a sclerosing agent for the treatment of ESOPHAGEAL AND GASTRIC VARICES and VARICOSE VEINS.. polidocanol : A hydroxypolyether that is nonaethylene glycol in which one of the terminal hydroxy functions is substituted by a lauryl (dodecyl) group.	2.02	1	0	hydroxypolyether	hepatotoxic agent; nonionic surfactant; sclerotherapy agent
isopropyl thiogalactoside Isopropyl Thiogalactoside: A non-metabolizable galactose analog that induces expression of the LAC OPERON.. isopropyl beta-D-thiogalactopyranoside : An S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur.	2.42	2	0	S-glycosyl compound
tiamulin tiamulin: 81723 HFU and tiamutin are for fumarate salt; prevents senescence in ascomycete; pleuromutilin derivative; RN given refers to ((3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-isomer. tiamulin : A carbotricyclic compound that is pleuromutilin in which the hydroxyacetate group is replaced by a 2-{[2-(diethylamino)ethyl]sulfanyl}acetate group. An antibacterial drug, tiamulin is used in veterinary medicine (generally as its hydrogen fumarate salt) for the treatment of swine dysentery caused by Serpulina hyodysenteriae.	1.95	1	0	carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid	antibacterial drug
propylthiouracil Propylthiouracil: A thiourea antithyroid agent. Propythiouracil inhibits the synthesis of thyroxine and inhibits the peripheral conversion of throxine to tri-iodothyronine. It is used in the treatment of hyperthyroidism. (From Martindale, The Extra Pharmacopeoia, 30th ed, p534). 6-propyl-2-thiouracil : A pyrimidinethione consisting of uracil in which the 2-oxo group is substituted by a thio group and the hydrogen at position 6 is substituted by a propyl group.	3.56	9	0	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist
nsc 4347 NSC 4347: structure in first source	2.86	3	0
cp 84364 CP 84364: metabolite of CP-80794; structure in first source	1.99	1	0
sesquiterpenes [no description available]	6.58	15	0
chlorprothixene Chlorprothixene: A thioxanthine with effects similar to the phenothiazine antipsychotics.. (Z)-chlorprothixene : A chlorprothixene in which the double bond adopts a (Z)-configuration.	2.01	1	0	chlorprothixene
doxepin hydrochloride [no description available]	2.1	1	0
etomidate Etomidate: Imidazole derivative anesthetic and hypnotic with little effect on blood gases, ventilation, or the cardiovascular system. It has been proposed as an induction anesthetic.. etomidate : The ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anaesthetic with no analgesic activity.	2	1	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.	4.3	6	0	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
4-bromophenylalanine [no description available]	5.55	9	2
phenylthiourea Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.. N-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing.	1.94	1	0	thioureas	EC 1.14.18.1 (tyrosinase) inhibitor
4-(dicyanomethylene)-2-methyl-6-(4-(dimethylamino)styryl)-4h-pyran 2-(2-(4-(dimethylamino)styryl)-6-methyl-4H-pyran-4-ylidene)malononitrile: structure in first source	2.13	1	0
caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid.	9.22	5	0	caffeic acid	geroprotector; mouse metabolite
n-acetyltryptophan N-acetyl-L-tryptophan : A N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan.	2.92	4	0	L-tryptophan derivative; N-acetyl-L-amino acid	metabolite
1-(1-naphthylmethyl)piperazine [no description available]	2.08	1	0
n-benzoylalanine N-benzoylalanine: RN given refers to parent cpd (L-Ala)-isomer. N-benzoylalanine : An N-acylamino acid that is the N-benzoyl derivative of alanine.. N-benzoyl-L-alanine : An N-acyl-L-alanine resulting from the formal condensation of L-alanine with the carboxy group of benzoic acid.	1.97	1	0	N-acyl-L-alanine; N-benzoylalanine	metabolite
1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone [no description available]	2.05	1	0	aromatic ketone
n-acetyltyrosylamide N-acetyltyrosylamide: substrate for lactoperoxidase; RN given refers to (S)-isomer	2.4	2	0
phenylalanine methyl ester phenylalanine methyl ester: RN given refers to (L)-isomer. methyl L-phenylalaninate : An alpha-amino acid ester that is the methyl ester of L-phenylalanine.	6.62	50	1	alpha-amino acid ester; L-phenylalanine derivative
3-hydroxyquinolin-2(1h)-one 3-hydroxyquinolin-2(1H)-one: structure in first source. dihydroxyquinoline : Any hydroxyquinoline in which the number of hydroxy substituents is specified as two.	7.31	1	0	hydroxyquinoline; quinolone
dieldrin Dieldrin: An organochlorine insecticide whose use has been cancelled or suspended in the United States. It has been used to control locusts, tropical disease vectors, in termite control by direct soil injection, and non-food seed and plant treatment. (From HSDB). dieldrin : An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin.	6.94	1	0	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	4.92	10	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
rhodanine 2-mercaptothiazolinone: metabolite in urine from persons exposed to CS2; structure	3.35	6	0	thiazolidinone
thiouracil Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.	3.89	13	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
thiohydantoins Thiohydantoins: Sulfur analogs of hydantoins with one or both carbonyl groups replaced by thiocarbonyl groups.	2.08	1	0
methimazole Methimazole: A thioureylene antithyroid agent that inhibits the formation of thyroid hormones by interfering with the incorporation of iodine into tyrosyl residues of thyroglobulin. This is done by interfering with the oxidation of iodide ion and iodotyrosyl groups through inhibition of the peroxidase enzyme.. methimazole : A member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen.	2.02	1	0	1,3-dihydroimidazole-2-thiones	antithyroid drug
p-cyanophenylalanine p-cyanophenylalanine: structure in first source	8.19	5	0
cinnarizine Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS.	2.37	2	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.	7.94	4	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
enclomiphene Enclomiphene: The trans or (E)-isomer of clomiphene.	2.08	1	0
metiamide Metiamide: A histamine H2 receptor antagonist that is used as an anti-ulcer agent.	2.36	2	0	imidazoles
terbinafine [no description available]	2.1	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
geranyl acetate geranyl acetate: constituted about 90% of the palmarosa oil. geranyl acetate : A monoterpenoid that is the acetate ester derivative of geraniol.	2.15	1	0	acetate ester; monoterpenoid	plant metabolite
coniferyl alcohol coniferyl alcohol: structure. coniferol : A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring.	2.73	3	0	guaiacols; phenylpropanoid	animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component
3-methylglutaconic acid (E)-3-methylglutaconic acid : A dicarboxylic acid comprising (E)-glutaconic acid carrying a 3-methyl substituent.	1.97	1	0	dicarboxylic acid
n-glycylalanine Gly-Ala : A dipeptide formed from glycine and L-alanine residues.	2.05	1	0	dipeptide	metabolite
3-phenylpropionylglycine 3-phenylpropionylglycine: found in urine of patients suffering from medium-chain acyl-CoA dehydrogenase deficiency; RN refers to HCl	1.98	1	0	aromatic ketone
oxazolone Oxazolone: Immunologic adjuvant and sensitizing agent.	2.44	2	0
chlorogenic acid caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.	8.93	13	0	cinnamate ester; tannin	food component; plant metabolite
benzotript benzotript: anti-gastrinic; active group is amide; structure	1.96	1	0
thioguanine anhydrous Thioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.. tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia.	1.94	1	0	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
thiobarbituric acid thiobarbituric acid: RN given refers to parent cpd. 2-thiobarbituric acid : A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur.	7.07	1	0	barbiturates	allergen; reagent
1,3-dimethylthiourea [no description available]	2.17	1	0
n-methylthiourea N-methylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a methyl group.	1.94	1	0	thioureas	drug metabolite; hepatotoxic agent; human xenobiotic metabolite
thiourea Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.	3.65	10	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
D-fructopyranose [no description available]	8.49	47	2	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
thioacetamide Thioacetamide: A crystalline compound used as a laboratory reagent in place of HYDROGEN SULFIDE. It is a potent hepatocarcinogen.. thioacetamide : A thiocarboxamide consiting of acetamide having the oxygen replaced by sulfur.	2.35	2	0	thiocarboxamide	hepatotoxic agent
tempo TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively.	2.44	2	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
4-maleimido-2,2,6,6-tetramethylpiperidinooxyl 4-maleimido-TEMPO : A member of the class of piperidines that is TEMPO carrying a maleimido group at position 4.	1.96	1	0	aminoxyls; dicarboximide; maleimides; piperidines	radical scavenger; spin label
digoxin Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666). digoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.	2.53	2	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
glycylvaline glycylvaline: RN given refers to (DL)-isomer	2.4	2	0	dipeptide	human metabolite
epsilon-tert-butyloxycarbonyl-lysine epsilon-tert-butyloxycarbonyl-lysine: RN given refers to (L)-isomer	2.05	1	0
tamoxifen [no description available]	2.1	1	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
sodium taurodeoxycholate Taurodeoxycholic Acid: A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.. taurodeoxycholic acid : A bile acid taurine conjugate of deoxycholic acid.. taurodeoxycholate : An organosulfonate oxoanion that is the conjugate base of taurodeoxycholic acid.	1.99	1	0	bile acid taurine conjugate	human metabolite
4-methylumbelliferyl glucoside 4-methylumbelliferyl glucoside: RN given refers to (beta)-isomer. 4-methylumbelliferyl beta-D-glucoside : A beta-D-glucoside having a 4-methylumbelliferyl substituent at the anomeric position.	2.43	2	0	beta-D-glucoside; coumarins; monosaccharide derivative	chromogenic compound
wang resin Wang resin: structure in first source	2.13	1	0
1-butyl-3-methylimidazolium chloride 1-butyl-3-methylimidazolium chloride: structure in first source	2.06	1	0
1-butyl-3-methylimidazolium hexafluorophosphate 1-butyl-3-methylimidazolium hexafluorophosphate: structure in first source	2	1	0
1-octyl-3-methylimidazolium hexafluorophosphate 1-octyl-3-methylimidazolium hexafluorophosphate: is a nonaqueous ionic liquid	2	1	0
nadp [no description available]	10.19	49	0
2,2'-bis(diphenylphosphino)-1,1'-biphenyl 2,2'-bis(diphenylphosphino)-1,1'-biphenyl: structure in first source	2.11	1	0
8-azidoadenosine 5'-triphosphate [no description available]	2.69	3	0
ethionamide Ethionamide: A second-line antitubercular agent that inhibits mycolic acid synthesis.. ethionamide : A thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-oxide.	1.98	1	0	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug
5-carboxytetramethylrhodamine succinimidyl ester [no description available]	2.88	3	0
3-(4-acetylphenyl)-2-aminopropanoic acid 3-(4-acetylphenyl)-2-aminopropanoic acid: structure in first source	4.21	16	0
4-(trifluoromethyl)phenylalanine 4-(trifluoromethyl)phenylalanine: an unnatural amino acid; structure in first source	3.16	5	0
fusidic acid Fusidic Acid: An antibiotic isolated from the fermentation broth of Fusidium coccineum. (From Merck Index, 11th ed). It acts by inhibiting translocation during protein synthesis.. fusidic acid : A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum.	6.68	75	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
lincomycin Lincomycin: An antibiotic produced by Streptomyces lincolnensis var. lincolnensis. It has been used in the treatment of staphylococcal, streptococcal, and Bacteroides fragilis infections.. lincomycin : A carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis.	5.53	23	0	carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound	antimicrobial agent; bacterial metabolite
valinomycin Valinomycin: A cyclododecadepsipeptide ionophore antibiotic produced by Streptomyces fulvissimus and related to the enniatins. It is composed of 3 moles each of L-valine, D-alpha-hydroxyisovaleric acid, D-valine, and L-lactic acid linked alternately to form a 36-membered ring. (From Merck Index, 11th ed) Valinomycin is a potassium selective ionophore and is commonly used as a tool in biochemical studies.. valinomycin : A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains.	2.65	3	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
thiopental Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.. thiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	1.98	1	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
ranitidine Ranitidine: A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers.. ranitidine : A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.	3.4	1	1	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
maraviroc [no description available]	2.11	1	0	tropane alkaloid
4-azidosalicylic acid 4-azidosalicylic acid: structure given in first source	2.03	1	0
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	2.74	3	0	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent
mk 0608 7-deaza-2'-C-methyladenosine: an antiviral agent	2.1	1	0
laccase Laccase: A copper-containing oxidoreductase enzyme that catalyzes the oxidation of 4-benzenediol to 4-benzosemiquinone. It also has activity towards a variety of O-quinols and P-quinols. It primarily found in FUNGI and is involved in LIGNIN degradation, pigment biosynthesis and detoxification of lignin-derived products.	7.74	3	0
glycylproline Gly-Pro : A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group.	2.4	2	0	dipeptide zwitterion; dipeptide	metabolite
lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.	4.97	40	0	alkali metal atom
alpha-sarcin alpha-sarcin: basic protein 150 aa, MW 16 kDa; isolated from aspergillus giganteus; sequence similarity with ribonucleases such as RIBONUCLEASE T1; 85% identity with restrictocin; a ribotoxin cleaving the phosphodiester bond on the 3' side of G4325 in the alpha-sarcin/ricin domain of rat 28S RIBOSOMAL RNA; sometimes called a ribosome-inactivating protein but falls outside the normal definition of plant RIP that de-adenylate rRNA	2.67	3	0
cobaltous chloride cobaltous chloride: RN given refers to unlabeled cpd; RN in Chemline for cobalt trichloride: 10241-04-0; RN for 60-labeled cpd: 14543-09-0; RN for 57-labeled cpd: 164113-89-1; RN for 58-labeled cpd: 29377-09-1; structure. cobalt dichloride : A cobalt salt in which the cobalt metal is in the +2 oxidation state and the counter-anion is chloride. It is used as an indicator for water in desiccants.	2.02	1	0	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
nitrogen dioxide Nitrogen Dioxide: Nitrogen oxide (NO2). A highly poisonous gas. Exposure produces inflammation of lungs that may only cause slight pain or pass unnoticed, but resulting edema several days later may cause death. (From Merck, 11th ed) It is a major atmospheric pollutant that is able to absorb UV light that does not reach the earth's surface.	2.92	4	0	nitrogen oxide
maneb Maneb: Manganese derivative of ethylenebisdithiocarbamate. It is used in agriculture as a fungicide and has been shown to cause irritation to the eyes, nose, skin, and throat.. maneb : A polymeric complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. An agrochemical fungicide, it is used to control a variety of diseases including blight, leaf spot, rust, downy mildew and scab.	2.41	1	0
thiouridine Thiouridine: A photoactivable URIDINE analog that is used as an affinity label.. 4-thiouridine : A thiouridine in which the oxygen replaced by sulfur is that at C-4.	4.26	19	0	nucleoside analogue; thiouridine	affinity label; antimetabolite
dermatan sulfate Dermatan Sulfate: A naturally occurring glycosaminoglycan found mostly in the skin and in connective tissue. It differs from CHONDROITIN SULFATE A (see CHONDROITIN SULFATES) by containing IDURONIC ACID in place of glucuronic acid, its epimer, at carbon atom 5. (from Merck, 12th ed). alpha-L-IdopA-(1->3)-beta-D-GalpNAc4S : An oligosaccharide sulfate that is 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose in which the hydroxy group at position 3 has been converted to the corresponding alpha-L-idopyranuronoside.. dermatan sulfate : Any of a group of glycosaminoglycans with repeating units consisting of variously sulfated beta1->4-linked L-iduronyl-(alpha1->3)-N-acetyl-D-galactosamine units.	2.44	2	0	amino disaccharide; glycosylgalactose derivative; iduronic acids; oligosaccharide sulfate
hydroxylysine Hydroxylysine: A hydroxylated derivative of the amino acid LYSINE that is present in certain collagens.. hydroxylysine : A hydroxy-amino acid in which the amino acid specified is lysine. A "closed" class.. erythro-5-hydroxy-L-lysine : A 5-hydroxylysine consisting of L-lysine having an (R)-hydroxy group at the 5-position.. 5-hydroxylysine : A hydroxylysine that is lysine substituted by a hydroxy group at position 5.	3.48	2	0	5-hydroxylysine; hydroxy-L-lysine	human metabolite
adrafinil [no description available]	3.39	1	1	diarylmethane
raclopride Raclopride: A substituted benzamide that has antipsychotic properties. It is a dopamine D2 receptor (see RECEPTORS, DOPAMINE D2) antagonist.	4.89	4	2	salicylamides
quinine [no description available]	8.77	11	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
stypoldione stypoldione: ortho-quinone from brown algae Stypopodium zonale; structure given in first source	1.96	1	0
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester [no description available]	2.42	2	0
glycodeoxycholic acid Glycodeoxycholic Acid: A bile salt formed in the liver by conjugation of deoxycholate with glycine, usually as the sodium salt. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and choleretic.. glycodeoxycholic acid : A bile acid glycine conjugate of deoxycholic acid.	2.1	1	0	bile acid glycine conjugate	human metabolite
deltorphin deltorphin: isolated from skin of Phyllomedusa sauvagei; has affinity to opioid receptor; note deltorphin I and deltorphin II are available, they have Ala in position 2	3.25	6	0	peptide
rtki cpd RTKI cpd: preferentially inhibits human glioma cells expressing truncated rather than wild-type epidermal growth factor receptors	3.41	7	0
n-tert-butyl-alpha-(4-nitrophenyl)nitrone N-tert-butyl-alpha-(4-nitrophenyl)nitrone: RN given from Aldrich 1990-1991 catalog	2.01	1	0
tryptophan tryptophylquinone tryptophan tryptophylquinone: prosthetic group of the quinoprotein methylamine dehydrogenase; structure given in first source	2.4	2	0
pksi 527 PKSI 527: structure given in first source	4.26	18	0
3-azidotyrosine 3-azidotyrosine: photoinhibitor of tubulin-tyrosine ligase	1.97	1	0
cystine [no description available]	9.53	157	0
beta-cyclodextrin tetradecasulfate beta-cyclodextrin tetradecasulfate: RN given refers to cpd without isomeric designation	2.02	1	0
slv 306 SLV 306: also an endothelin-converting enzyme-1 inhibitor; structure in first source	3.12	1	0
prucalopride prucalopride: a 5-HT4 agonist enterokinetic compound	2.58	2	0	benzamides
safingol safingol: RN given refers to the (R-(R,S))-isomer	2.6	1	0	amino alcohol
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	2.98	4	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
1,2-dihexanoylphosphatidylethanolamine [no description available]	2	1	0
cysteine-glutathione disulfide cysteine-glutathione disulfide: a peptide pheromone that induces male ragworms to release sperm	2.17	1	0
4-azidophenylalanine 4-azidophenylalanine: RN given refers to (L)-isomer. 4-azido-L-phenylalanine : A 4-azidophenylalanine that has L-configuration. It is used as a bioorthogonal click-chemistry reagent.. 4-azidophenylalanine : A phenylalanine derivative that is phenylalanine substituted by an azido group at position 4.	12.13	77	0
monothiopyrophosphoric acid monothiopyrophosphoric acid: structure given in first source	2.01	1	0
preussin preussin: from Aspergillus ochraceus	2.44	2	0
europium cryptate europium(III) trisbipyridine cryptate: structure given in first source	2.11	1	0
calixarenes Calixarenes: Phenolic metacyclophanes derived from condensation of PHENOLS and ALDEHYDES. The name derives from the vase-like molecular structures. A bracketed [n] indicates the number of aromatic rings.. calixarenes : Originally macrocyclic compounds capable of assuming a basket (or "calix") shaped conformation. They are formed from p-hydrocarbyl phenols and formaldehyde. The term now applies to a variety of derivatives by substitution of the hydrocarbon cyclo{oligo[(1,3-phenylene)methylene]}.. calixarene : A macrocycle composed of 1,3-phenylene groups linked by methylene groups. The number of 1,3-phenylene units in the macrocycle is denoted by the "n" in calix[n]arene name.	9.07	146	0
4-hydroxyphenethylene glycol [no description available]	1.97	1	0	phenols
h-tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-oh H-tyrosyl-cyclo(cysteinyl-phenylalanyl-penicillaminyl)-OH: a cyclic delta receptor selective tetrapeptide; RN given is for D-penicillamine	2.68	3	0
18-crown-6 2,3,11,12-tetracarboxylic acid 18-crown-6 2,3,11,12-tetracarboxylic acid: structure in first source; RN given for (2R,3R,11,12)-isomer	2.43	2	0
allatostatin 1 allatostatin 1: inhibits juvenile hormone synthesis; from reproductively active females	2.13	1	0
olivomycins Olivomycins: A mixture of several closely related glycosidic antibiotics obtained from Actinomyces (or Streptomyces) olivoreticuli. They are used as fluorescent dyes that bind to DNA and prevent both RNA and protein synthesis and are also used as antineoplastic agents.	3.45	2	0
amanitins Amanitins: Cyclic peptides extracted from carpophores of various mushroom species. They are potent inhibitors of RNA polymerases in most eukaryotic species, blocking the production of mRNA and protein synthesis. These peptides are important in the study of transcription. Alpha-amanitin is the main toxin from the species Amanitia phalloides, poisonous if ingested by humans or animals.	1.97	1	0
cytellin cytellin: a phytosterol preparation of mainly B-sitosterol, that was marketed by Eli Lilly to lower cholesterol 1957 to 1982	1.98	1	0
phosphonic acid phosphonic acid : A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids.	7.72	2	0
3-aminotyrosine [no description available]	2.01	1	0
n-(2-naphthalene)sulfonyl-dl-tryptophan [no description available]	1.95	1	0
ginsenosides ginsenoside : Triterpenoid saponins with a dammarane-like skeleton originally isolated from ginseng (Panax) species. Use of the term has been extended to include semi-synthetic derivatives.	2.41	1	0
cholecystokinin (27-33), tert-butyloxycarbonyl-nle(28,31)- cholecystokinin (27-33), tert-butyloxycarbonyl-Nle(28,31)-: cholecystokinin agonist	2.39	2	0
phosphothreonine Phosphothreonine: The phosphoric acid ester of threonine. Used as an identifier in the analysis of peptides, proteins, and enzymes.. O-phospho-L-threonine : A L-threonine derivative phosphorylated at the side-chain hydroxy function.	2.05	1	0	L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid	Escherichia coli metabolite
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	4.36	21	0
gw 7647 GW 7647: a PPAR-alpha agonist; structure in first source. GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.	2.08	1	0	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.	5.41	62	0	organic sodium salt	detergent; protein denaturant
blister blebbistatin: structure in first source. blebbistatin : A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II.	2.03	1	0	cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone	inhibitor
adenylyl-(3'-5')-adenylyl-(3'-5')-adenosine [no description available]	1.94	1	0
valyl-leucyl-lysine 4-nitroanilide valyl-leucyl-lysine 4-nitroanilide: chromogenic substrate of plasmin; H-D-Val-Leu-Lys- 4-nitroaniline	2	1	0
chloramine-t chloramine-T: RN given refers to unlabeled parent cpd. chloramine T : An organic sodium salt derivative of toluene-4-sulfonamide with a chloro substituent in place of an amino hydrogen.	2.21	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
6-cyano-7-nitroquinoxaline-2,3-dione 6-Cyano-7-nitroquinoxaline-2,3-dione: A potent excitatory amino acid antagonist with a preference for non-NMDA iontropic receptors. It is used primarily as a research tool.	2.03	1	0	quinoxaline derivative
mm 77 [no description available]	2.03	1	0	piperazines
a 61603 A 61603: a potent alpha1-adrenergic receptor agonist; structure given in first source	2	1	0	tetralins
alpha-chymotrypsin Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.	9.4	272	0
17-ketosteroids 17-Ketosteroids: Steroids that contain a ketone group at position 17.. 17-oxo steroid : Any oxo steroid carrying the oxo group at position 17.	1.94	1	0
naphthoquinones Naphthoquinones: Naphthalene rings which contain two ketone moieties in any position. They can be substituted in any position except at the ketone groups.	3.06	5	0
sodium borohydride sodium borohydride: RN given refers to parent cpd	3.81	2	1	inorganic sodium salt; metal tetrahydridoborate
osteoprotegerin Osteoprotegerin: A secreted member of the TNF receptor superfamily that negatively regulates osteoclastogenesis. It is a soluble decoy receptor of RANK LIGAND that inhibits both CELL DIFFERENTIATION and function of OSTEOCLASTS by inhibiting the interaction between RANK LIGAND and RECEPTOR ACTIVATOR OF NUCLEAR FACTOR-KAPPA B.	2.05	1	0	long-chain fatty acid
cathepsin g Cathepsin G: A serine protease found in the azurophil granules of NEUTROPHILS. It has an enzyme specificity similar to that of chymotrypsin C.	8.38	7	0
3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol 3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol: (-)-CP-55,940 and (+)-CP-56,667 are enantiomers; RN refers to CP-55,940	2.03	1	0	alkylbenzene; ring assembly
5-methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)indole-4,7-dione 5-methoxy-1,2-dimethyl-3-((4-nitrophenoxy)methyl)indole-4,7-dione: structure in first source	2.03	1	0
4-cresol sulfate p-cresol sulfate : An aryl sulfate that is p-cresol in which the phenolic hydrogen has been replaced by a sulfo group.	2.41	1	0	aryl sulfate	gut flora metabolite; human metabolite; uremic toxin
myelin basic protein Myelin Basic Protein: An abundant cytosolic protein that plays a critical role in the structure of multilamellar myelin. Myelin basic protein binds to the cytosolic sides of myelin cell membranes and causes a tight adhesion between opposing cell membranes.	4.06	15	0
jnj 7777120 1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine: an H4 receptor antagonist; structure in first source	2.04	1	0
methanethiosulfonate methanethiosulfonate: used for measurement of rhodanese activity; RN given refers to parent cpd	2.02	1	0
geranylgeranic acid geranylgeranic acid: RN given refers to cpd without isomeric designation. (2E,6E,10E)-geranylgeranic acid : A diterpenoid obtained by formal oxidation of the CH2OH group of (E,E,E)-geranylgeraniol to the corresponding carboxylic acid.	2.01	1	0	alpha,beta-unsaturated monocarboxylic acid; diterpenoid; methyl-branched fatty acid; trienoic fatty acid
sphingosine sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4.	2.7	3	0	sphing-4-enine	human metabolite; mouse metabolite
quercetin [no description available]	2.73	3	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
ubiquinone q2 Ubiquinone Q2: interacts with iron atom to form acceptor quinone complex; RN given refers to cpd with unspecified isomeric designation	2.41	2	0	ubiquinones
bilirubin [no description available]	6.53	18	3	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	3.13	5	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost Dinoprost: A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions.. prostaglandin F2alpha : A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor.	2.71	3	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
bergaptol 5-hydroxyfurocoumarin : A furanocoumarin which bears a hydroxy group at position 5.	2	1	0	5-hydroxyfurocoumarin; psoralens
leukotriene a4 Leukotriene A4: (2S-(2 alpha,3 beta(1E,3E,5Z,8Z)))-3-(1,3,5,8-Tetradecatetraenyl)oxiranebutanoic acid. An unstable allylic epoxide, formed from the immediate precursor 5-HPETE via the stereospecific removal of a proton at C-10 and dehydration. Its biological actions are determined primarily by its metabolites, i.e., LEUKOTRIENE B4 and cysteinyl-leukotrienes. Alternatively, leukotriene A4 is converted into LEUKOTRIENE C4 by glutathione-S-transferase or into 5,6-di-HETE by the epoxide-hydrolase. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene A4 : A leukotriene that is the (5S,6S)-epoxy derivative of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid.	2	1	0	epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid	human metabolite; mouse metabolite; plant metabolite
sterigmatocystin [no description available]	1.96	1	0	sterigmatocystins	metabolite
fumarylacetoacetate fumarylacetoacetate: metabolite of tyrosine; RN given for (E)-isomer; structure in first source	3.1	1	0	beta-diketone; dicarboxylic fatty acid; oxo dicarboxylic acid
12-oxophytodienoic acid 12-oxophytodienoic acid: structure given in first source; a jasmonate precursor that induces phytoalexin synthesis	2.06	1	0	carbocyclic fatty acid; olefinic fatty acid; oxo carboxylic acid
tylosin [no description available]	2.1	1	0	aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative	allergen; bacterial metabolite; environmental contaminant; xenobiotic
apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.	3.23	4	0	trihydroxyflavone	antineoplastic agent; metabolite
7,3'-dihydroxy-4'-methoxyisoflavone 7,3'-dihydroxy-4'-methoxyisoflavone: isolated from Astragali radix; structure in first source. calycosin : A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position.	2.04	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones	antioxidant; metabolite
linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.	12.47	14	3	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
maleamic acid maleamic acid: structure. maleamic acid : A dicarboxylic acid monoamide of maleamic acid.	7.46	2	0	alpha,beta-unsaturated monocarboxylic acid; dicarboxylic acid monoamide	bacterial xenobiotic metabolite; Escherichia coli metabolite
calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes	3.84	4	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
pinosylvin pinosylvin: phytoalexin found in pine and eucalyptus	2.13	1	0	pinosylvin
ubiquinone 9 ubiquinone 9: a form of coenzyme Q found in many foods; RN given refers to (all-E)-isomer	1.94	1	0	ubiquinones	antioxidant; human metabolite
vitamin k semiquinone radical vitamin K semiquinone radical: found in active preparations of vitamin K-dependent carboxylase. vitamin K : Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors.	5.06	8	0
beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.	3.85	3	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
11-cis-retinal Rhodopsin: A purplish-red, light-sensitive pigment found in RETINAL ROD CELLS of most vertebrates. It is a complex consisting of a molecule of ROD OPSIN and a molecule of 11-cis retinal (RETINALDEHYDE). Rhodopsin exhibits peak absorption wavelength at about 500 nm.. 11-cis-retinal : A retinal having 2E,4Z,6E,8E-double bond geometry.	4.22	17	0	retinal	chromophore; human metabolite; mouse metabolite
leukotriene b4 Leukotriene B4: The major metabolite in neutrophil polymorphonuclear leukocytes. It stimulates polymorphonuclear cell function (degranulation, formation of oxygen-centered free radicals, arachidonic acid release, and metabolism). (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene B4 : A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway.	2.41	2	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
leukotriene c4 Leukotriene C4: The conjugation product of LEUKOTRIENE A4 and glutathione. It is the major arachidonic acid metabolite in macrophages and human mast cells as well as in antigen-sensitized lung tissue. It stimulates mucus secretion in the lung, and produces contractions of nonvascular and some VASCULAR SMOOTH MUSCLE. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene C4 : A leukotriene that is (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage.	2.02	1	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
sinapyl alcohol sinapyl alcohol: has anti-inflammatory and antinociceptive properties; structure in first source. trans-sinapyl alcohol : Sinapyl alcohol in which the configuration of the propenyl double bond is E. It is one of the main monolignols.. sinapyl alcohol : A primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5.	2.13	1	0	sinapyl alcohol	monolignol
hymecromone Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.	2.92	4	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
alprostadil [no description available]	3.59	2	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
vitamin d 2 Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24.. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa.	1.94	1	0	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
stigmasterol stigmasta-5,22-dien-3-ol: isolated from freeze-dried powder of Blackberries (Rubus ursinus L.) which showed an activity on inhibition of chemocarcinogen. stigmasterol : A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions.	2.8	3	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; phytosterols; stigmastane sterol	plant metabolite
cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.	2.91	4	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
quercetin 3-o-glucopyranoside quercetin 3-O-glucopyranoside: structure in first source. quercetin 3-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplastic activityand has been found to decrease the rate of polymerization and sickling of red blood cells	2.41	1	0	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	3.82	2	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
vitamin k1 oxide vitamin K1 oxide: RN given refers to parent cpd; see also record for 2,3-epoxymenaquinone	2.15	1	0
kaempferol [no description available]	2	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
leukotriene d4 Leukotriene D4: One of the biologically active principles of SRS-A. It is generated from LEUKOTRIENE C4 after partial hydrolysis of the peptide chain, i.e., cleavage of the gamma-glutamyl portion. Its biological actions include stimulation of vascular and nonvascular smooth muscle, and increases in vascular permeability. (From Dictionary of Prostaglandins and Related Compounds, 1990). leukotriene D4 : A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and a L-cysteinylglycinyl group at position 6 (6R).	2.02	1	0	dipeptide; leukotriene; organic sulfide	bronchoconstrictor agent; human metabolite; mouse metabolite
zeaxanthin Zeaxanthins: Carotenoids found in fruits and vegetables. Zeaxanthin accumulates in the MACULA LUTEA.	2.01	1	0	carotenol	antioxidant; bacterial metabolite; cofactor
alpha-linolenic acid linolenic acid : A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins.. linolenate : A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.	4.6	5	1	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
harmine Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.	1.95	1	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
genistein [no description available]	3.53	8	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	4.45	7	0	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
pulmicort Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.. budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.	3.23	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
erucic acid [no description available]	2.01	1	0	docosenoic acid
tentoxin tentoxin: cyclic peptide from fungus Alternaria tenuis Auct.; structure	1.96	1	0	lactam
jasmonic acid jasmonic acid: a derivative of alpha-linolenic acid that has a role in plant response to herbivory analogous to the role of prostanoids in inflammation in mammals;. jasmonic acid : An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.	3.5	7	0	oxo monocarboxylic acid	jasmonates; plant metabolite
torularhodin [no description available]	3.23	1	0
torulene torulene : A carotene that is beta,psi-carotene which has been been dehydrogenated to introduce an (E)-double bond at the 3'-4' position.	3.23	1	0	carotene; polyene
cucurbitacin c cucurbitacin C: structure in first source	2.25	1	0	cucurbitacin
chartreusin chartreusin: structure	1.94	1	0	benzochromenone; glycoside
esculin [no description available]	2.64	3	0	beta-D-glucoside; hydroxycoumarin	antioxidant; metabolite
7-hydroxycoumarin 7-oxycoumarin: derivatives have anti-oxidant properties. umbelliferone : A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.	2.08	1	0	hydroxycoumarin	fluorescent probe; food component; plant metabolite
humulene humulene: structure given in first source. (1E,4E,8E)-alpha-humulene : The (1E,4E,8E)-isomer of alpha-humulene.	2.88	4	0	alpha-humulene
baicalein [no description available]	7.21	1	0	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger
chrysin chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.	2.21	1	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
fisetin [no description available]	2.41	1	0	3'-hydroxyflavonoid; 7-hydroxyflavonol; tetrahydroxyflavone	anti-inflammatory agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; metabolite; plant metabolite
myricetin [no description available]	2.41	1	0	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite
scutellarein scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein. scutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7.	7.69	2	0	tetrahydroxyflavone	metabolite
wogonin wogonin: structure in first source. wogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8.	2.41	1	0	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite
polydatin trans-piceid : A stilbenoid that is trans-resveratrol substituted at position 3 by a beta-D-glucosyl residue.	2.41	1	0	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	anti-arrhythmia drug; antioxidant; geroprotector; hepatoprotective agent; metabolite; nephroprotective agent; potassium channel modulator
pterostilbene [no description available]	2.13	1	0	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger
retrorsine retrorsine: RN given refers to cpd without isomeric designation; structure	2.08	1	0	macrolide
echinacoside echinacoside: from Buddleja species; has antihepatotoxic activity	2.05	1	0	oligosaccharide
iridin iridin : A glycosyloxyisoflavone that is irigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.	2.41	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative	plant metabolite
rosmarinic acid rosmarinic acid: RN given refers to parent cpd; promote OT project. (R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.. rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid.	8.42	2	0	rosmarinic acid	geroprotector; plant metabolite
ellagic acid [no description available]	2.53	2	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
bacteriopheophytin bacteriopheophytin: pigment which is the degradation product of bacteriochlorophyll; structure. bacteriopheophytin a : A bacteriopheophytin consisting of bacteriochlorophyll a with two hydrogen atoms replacing the magnesium centre.. bacteriopheophytin : A cyclic tetrapyrrole comprising any bacteriochlorophyll molecule with two hydrogen atoms replacing the magnesium centre.	2.71	3	0
7-hydroxyflavone 7-hydroxyflavone : A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group.	2.41	1	0	hydroxyflavonoid
soraphen a [no description available]	2.42	2	0	cyclic hemiketal; ether; macrolide; olefinic compound	bacterial metabolite; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; teratogenic agent
coenzyme q10 coenzyme Q10: Ubiquinone ring with a chain of 10 isoprene units; redox equilibrium with ubiqunol serving in mitochondrial inner membrane to transfer electrons; presence during reconstitution of acetylcholine receptor into phospholipid vesicles yields vesicles active in catalyzing carbamylcholine-sensitive Na+ flux; coenzyme Q10 depletion has been noted with use of statins. coenzyme Q10 : A ubiquinone having a side chain of 10 isoprenoid units. In the naturally occurring isomer, all isoprenyl double bonds are in the E- configuration.	5.42	4	1	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
cerulenin Cerulenin: An epoxydodecadienamide isolated from several species, including ACREMONIUM, Acrocylindrum, and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.. cerulenin : An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.	2.6	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
alpha-ionone alpha-ionone: RN given refers to cpd without isomeric designation; structure	2.21	1	0	enone; ionone; methyl ketone
travoprost Travoprost: A cloprostenol derivative that is used as an ANTIHYPERTENSIVE AGENT in the treatment of OPEN-ANGLE GLAUCOMA and OCULAR HYPERTENSION.. travoprost : The isopropyl ester of prostaglandin F2alpha in which the pentyl group is replaced by a 3-(trifluoromethyl)phenoxymethyl group. A synthetic analogue of prostaglandin F2alpha, ophthalmic solutions of travoprost are used as a topical medication for controlling the progression of open-angle glaucoma and ocular hypertension, by reducing intraocular pressure. It is a pro-drug; the isopropyl ester group is hydrolysed by esterases in the cornea to the biologically active free acid, fluprostenol.	2.01	1	0	(trifluoromethyl)benzenes; isopropyl ester; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; ophthalmology drug; prodrug; prostaglandin receptor agonist
7432 s Ceftibuten: A cephalosporin antibacterial agent that is used in the treatment of infections, including urinary-tract and respiratory-tract infections.. ceftibuten : A third-generation cephalosporin antibiotic with a [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino substituent at the 7 position of the cephem skeleton. An orally-administered agent, ceftibuten is used as the dihydrate to treat urinary-tract and respiratory-tract infections.	2.72	3	0	cephalosporin; dicarboxylic acid	antibacterial drug
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid 4-Acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic Acid: A non-penetrating amino reagent (commonly called SITS) which acts as an inhibitor of anion transport in erythrocytes and other cells.	1.96	1	0	stilbenoid
8-epi-prostaglandin f2alpha 8-epi-prostaglandin F2alpha: a potent preglomerular vasoconstrictor acting principally through thromboxane A2 receptor activation. 8-epi-prostaglandin F2alpha : An isoprostane that is prostaglandin F2alpha having inverted stereochemistry at the 8-position.	2.11	1	0	F2-isoprostane	biomarker; bronchoconstrictor agent; vasoconstrictor agent
isotretinoin Isotretinoin: A topical dermatologic agent that is used in the treatment of ACNE VULGARIS and several other skin diseases. The drug has teratogenic and other adverse effects.. isotretinoin : A retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used for the treatment of severe cases of acne and other skin diseases.	2.1	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
triprolidine Triprolidine: Histamine H1 antagonist used in allergic rhinitis; ASTHMA; and URTICARIA. It is a component of COUGH and COLD medicines. It may cause drowsiness.. triprolidine : An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders.	2.1	1	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
zinostatin Zinostatin: An enediyne that alkylates DNA and RNA like MITOMYCIN does, so it is cytotoxic.	2.4	2	0
levomepromazine maleate [no description available]	1.94	1	0
9-hydroxy-10,12-octadecadienoic acid 9-hydroxy-10,12-octadecadienoic acid: RN given refers to unspecified stereoisomer. 9-HODE : A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9.	3.8	2	1	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
13-hydroxy-9,11-octadecadienoic acid 13-hydroxy-9,11-octadecadienoic acid: chemorepellant factor which maintains blood vessel wall thromboresistance; RN given refers to unspecified stereoisomer	3.8	2	1	octadecadienoic acid
13-oxo-9,11-octadecadienoic acid 13-oxo-9,11-octadecadienoic acid: found in biological membranes oxygenated by the reticulocyte lipoxygenase. 13-oxo-9,11-octadecadienoic acid : An oxooctadecadienoic acid that is 9,11-octadecadienoic acid in which the oxo group is located at position 13.. 13-oxo-9E,11E-ODE : An oxooctadecadienoic acid that consists of 9E,11E-octadecadienoic acid with the oxo substituent located at position 13.	2.03	1	0	13-oxo-9,11-octadecadienoic acid; oxo fatty acid	metabolite
thromboxane b2 Thromboxane B2: A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin).. thromboxane B2 : A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.	1.99	1	0	thromboxanes B	human metabolite; mouse metabolite
arachidonic acid 5-hydroperoxide arachidonic acid 5-hydroperoxide: 5-HPETE is used inconsistently in literature as syn for cpds with various tetraene locants; RN given refers to (6,8,11,14)-isomer; RN in CA Vol 91 Form Index for (E,Z,Z,Z)-isomer: 70968-82-0; RN for (5,8,11,13)-isomer: 71133-12-5; in Merck, arachidonic acid is the (5,8,11,14)-isomer. 5-HPETE : A HPETE that consists of (6E,8Z,11Z,14Z)-icosatetraenoic acid in which the hydroperoxy group is located at position 5.	2	1	0	HPETE	human xenobiotic metabolite
4-hydroxy-2-nonenal 4-hydroxy-2-nonenal: cytotoxic product from peroxidation of liver microsomal lipids; RN given refers to cpd without isomeric designation. 4-hydroxynon-2-enal : An enal consisting of non-2-ene having an oxo group at the 1-position and a hydroxy group at the 4-position.. 4-hydroxynonenal : A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group.	2.73	3	0	4-hydroxynon-2-enal; 4-hydroxynonenal
2,4-decadienal (2E,4E)-deca-2,4-dienal : A polyunsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce trans- double bonds at the 2-3 and 4-5 positions. A product of lipid peroxidation in cell membranes and a component of cooking oil fumes.	2.44	2	0	polyunsaturated fatty aldehyde	apoptosis inducer; nematicide
oleylamide oleylamide: plastic additive; can cause contact urticaria; RN given refers to (Z)-isomer; a sleep inducing factor. aliphatic amide : A carboxamide in which the amide linkage is bonded directly to an aliphatic system.. oleamide : A fatty amide derived from oleic acid.	2.15	1	0	primary fatty amide	human metabolite; plant metabolite
menaquinone 6 menaquinone 6: RN given refers to (all-E)-isomer	2.45	2	0
sphingosine 1-phosphate sphingosine 1-phosphate: RN given refers to (R-(R,S-(E)))-isomer; RN for cpd without isomeric designation not available 8/89. sphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1	2.02	1	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
codeine [no description available]	2.66	3	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
cyclosporine ramihyphin A: one of the metabolites produced by Fusarium sp. S-435; RN given refers to cpd with unknown MF	2.05	1	0	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
mitolactol Mitolactol: Alkylating antineoplastic toxic to bone marrow; used in breast cancer, also in combination with other drugs.	1.95	1	0	alcohol; organobromine compound
phenylephrine hydrochloride Nose: A part of the upper respiratory tract. It contains the organ of SMELL. The term includes the external nose, the nasal cavity, and the PARANASAL SINUSES.. phenylephrine hydrochloride : A hydrochloride that is the monohydrochloride salt of phenylephrine.	2.72	3	0	hydrochloride
cyproterone Cyproterone: An anti-androgen that, in the form of its acetate (CYPROTERONE ACETATE), also has progestational properties. It is used in the treatment of hypersexuality in males, as a palliative in prostatic carcinoma, and, in combination with estrogen, for the therapy of severe acne and hirsutism in females.	1.95	1	0	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist
dihydrocodeine dihydrocodeine: RN refers to parent cpd(5alpha,6alpha)-isomer	2.1	1	0	morphinane alkaloid
diminazene aceturate diminazene diaceturate : An N-acetylglycinate salt resulting from the reaction of diminazene with 2 mol eq. of N-acetylglycine.	2.02	1	0	N-acetylglycinate salt	antiparasitic agent; trypanocidal drug
levetiracetam Levetiracetam: A pyrrolidinone and acetamide derivative that is used primarily for the treatment of SEIZURES and some movement disorders, and as a nootropic agent.. levetiracetam : A pyrrolidinone and carboxamide that is N-methylpyrrolidin-2-one in which one of the methyl hydrogens is replaced by an aminocarbonyl group, while another is replaced by an ethyl group (the S enantiomer). An anticonvulsant, it is used for the treatment of epilepsy in both human and veterinary medicine.	2.44	2	0	pyrrolidin-2-ones	anticonvulsant; environmental contaminant; xenobiotic
nalorphine Nalorphine: A narcotic antagonist with some agonist properties. It is an antagonist at mu opioid receptors and an agonist at kappa opioid receptors. Given alone it produces a broad spectrum of unpleasant effects and it is considered to be clinically obsolete.	4.02	3	1	morphinane alkaloid
naloxone Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.	6.44	57	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone Oxycodone: A semisynthetic derivative of CODEINE.. oxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.	2.1	1	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
vitamin k 1 Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.. phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones.	2.57	2	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	6.28	13	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
topiramate Topiramate: A sulfamate-substituted fructose analog that was originally identified as a hypoglycemic agent. It is used for the treatment of EPILEPSY and MIGRAINE DISORDERS, and may also promote weight loss.. topiramate : A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.	2.05	1	0	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
gamma-cyclodextrin gamma-cyclodextrin : A cycloamylose composed of eight alpha-(1->4) linked D-glucopyranose units.	2.43	2	0	cyclodextrin
menaquinone 7 menaquinone-7 : A menaquinone whose side-chain contains seven isoprene units in an all-trans-configutation.	2	1	0	menaquinone	bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite
brefeldin a [no description available]	2.41	2	0	macrolide antibiotic	Penicillium metabolite
cellodextrin cellodextrin: can be metabolized by some yeast species. cellooligosaccharide : An oligosaccharide with between two and about 20 D-glucose residues connected by mixed alpha and beta (1->4) glycosidic linkages.. cellodextrin : A dextrin of varying length (two or more glucose monomers) resulting from cellulolysis, the breakdown of cellulose.	7.08	1	0	glucotriose	bacterial xenobiotic metabolite
enacyloxin iia enacyloxin IIa: produced by Frateuria sp. W-315; structure given in first source	2	1	0
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	7.94	65	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
pactamycin Pactamycin: Antibiotic produced by Streptomyces pactum used as an antineoplastic agent. It is also used as a tool in biochemistry because it inhibits certain steps in protein synthesis.	1.95	1	0
a 192621 A 192621: ET(B) receptor antagonist	2	1	0
acipimox acipimox: lipolysis inhibitor	6.15	4	3	pyrazinecarboxylic acid
anthramycin [no description available]	6.95	1	0
bc 264 BC 264: a selective CCK-B agonist; do not confuse with pBC 264 (propionyl-BC 264)	2.9	4	0
benzphetamine Benzphetamine: A sympathomimetic agent with properties similar to DEXTROAMPHETAMINE. It is used in the treatment of obesity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1222). benzphetamine : Dextroamphetamine in which the the hydrogens attached to the amino group are substituted by a methyl and a benzyl group. A sympathomimetic agent with properties similar to dextroamphetamine, it is used as its hydrochloride salt in the treatment of obesity.	2.03	1	0	amphetamines; tertiary amine	adrenergic uptake inhibitor; appetite depressant; dopamine uptake inhibitor; sympathomimetic agent
beta-funaltrexamine beta-funaltrexamine: RN given refers to parent cpd(E)-isomer; structure given in first source	2.4	2	0	morphinane alkaloid
bimatoprost Bimatoprost: A cloprostenol-derived amide that is used as an ANTIHYPERTENSIVE AGENT in the treatment of OPEN-ANGLE GLAUCOMA and OCULAR HYPERTENSION.	2.01	1	0	monocarboxylic acid amide	antiglaucoma drug; antihypertensive agent
istradefylline [no description available]	2.25	1	0	oxopurine
clobetasol Clobetasol: A derivative of PREDNISOLONE with high glucocorticoid activity and low mineralocorticoid activity. Absorbed through the skin faster than FLUOCINONIDE, it is used topically in treatment of PSORIASIS but may cause marked adrenocortical suppression.. clobetasol : A 3-oxo-Delta(1),Delta(4)-steroid that is 16beta-methylpregna-1,4-diene-3,20-dione bearing hydroxy groups at the 11beta and 17alpha positions, fluorine at position 9, and a chlorine substituent at position 21. It is used as its 17alpha-propionate ester to treat various skin disorders, including exzema and psoriasis.	8.85	2	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug; SMO receptor agonist
cloprostenol Cloprostenol: A synthetic prostaglandin F2alpha analog. The compound has luteolytic effects and is used for the synchronization of estrus in cattle.	2.01	1	0	prostanoid
deamino arginine vasopressin Deamino Arginine Vasopressin: A synthetic analog of the pituitary hormone, ARGININE VASOPRESSIN. Its action is mediated by the VASOPRESSIN receptor V2. It has prolonged antidiuretic activity, but little pressor effects. It also modulates levels of circulating FACTOR VIII and VON WILLEBRAND FACTOR.	2.4	2	0	heterodetic cyclic peptide	diagnostic agent; renal agent; vasopressin receptor agonist
dexmedetomidine [no description available]	2.41	1	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
endomorphin 1 endomorphin 1: isolated from bovine brain	2.01	1	0	oligopeptide
endomorphin 2 endomorphin 2: isolated from bovine brain	3.29	6	0
kallidin Kallidin: A decapeptide bradykinin homolog cleaved from kininogen by kallikreins. It is a smooth-muscle stimulant and hypotensive agent that acts by vasodilatation.	2.88	4	0	peptide
halobetasol halobetasol: used in ointment to treat psoriasis; Ulobetasol cream contains 0.05% 6-fluoroclobetasol 17-propionate	2.21	1	0	corticosteroid hormone
phenylalanyl-prolyl-arginine methyl chloride phenylalanyl-prolyl-arginine methyl chloride: selective affinity label for thrombin; RN given refers to parent (L-Pro-D-Phe-(S))-isomer	1.97	1	0
iloprost Iloprost: An eicosanoid, derived from the cyclooxygenase pathway of arachidonic acid metabolism. It is a stable and synthetic analog of EPOPROSTENOL, but with a longer half-life than the parent compound. Its actions are similar to prostacyclin. Iloprost produces vasodilation and inhibits platelet aggregation.. iloprost : A carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension.	1.99	1	0	carbobicyclic compound; monocarboxylic acid; secondary alcohol	platelet aggregation inhibitor; vasodilator agent
j 113397 J 113397: an opioid receptor-like 1 (ORL1), orphanin FQ, and nociceptin receptor antagonist; structure in first source	2.01	1	0
l 365260 L 365260: a CCK-B antagonist; structure given in first source; potent & selective CCK-B & gastrin receptor ligand; L 365260 and L 365346 are (R)- and (S)-stereoisomers, respectively	3.08	5	0	benzodiazepine
15-deoxy-delta(12,14)-prostaglandin j2 15-deoxy-delta(12,14)-prostaglandin J2: 15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions. 15-deoxy-Delta(12,14)-prostaglandin J2 : A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions.	2.03	1	0	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite
lysophosphatidylcholines lysophosphatidylcholine : An acylglycerophosphocholine resulting from partial hydrolysis of a phosphatidylcholine, which removes one of the fatty acyl groups. The structure is depicted in the image where R1 = acyl, R2 = H or where R1 = H, R2 = acyl.	4.18	17	0	1-O-acyl-sn-glycero-3-phosphocholine
cytochalasin b Cytochalasin B: A cytotoxic member of the CYTOCHALASINS.. cytochalasin B : An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments.	4.11	16	0	cytochalasin; lactam; lactone; organic heterotricyclic compound	actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor
ro 41-1049 Ro 41-1049: structure given in first source	2.03	1	0
nateglinide Nateglinide: A phenylalanine and cyclohexane derivative that acts as a hypoglycemic agent by stimulating the release of insulin from the pancreas. It is used in the treatment of TYPE 2 DIABETES.. nateglinide : An N-acyl-D-phenylalanine resulting from the formal condensation of the amino group of D-phenylalanine with the carboxy group of trans-4-isopropylcyclohexanecarboxylic acid. An orally-administered, rapidly-absorbed, short-acting insulinotropic agent, it is used for the treatment of type 2 diabetes mellitus.	26.35	368	106	phenylalanine derivative
neurokinin a Neurokinin A: A mammalian neuropeptide of 10 amino acids that belongs to the tachykinin family. It is similar in structure and action to SUBSTANCE P and NEUROKININ B with the ability to excite neurons, dilate blood vessels, and contract smooth muscles, such as those in the BRONCHI.	2.91	4	0
neurokinin b Neurokinin B: A mammalian neuropeptide of 10 amino acids that belongs to the tachykinin family. It is similar in structure and action to SUBSTANCE P and NEUROKININ A with the ability to excite neurons, dilate blood vessels, and contract smooth muscles, such as those in the URINARY BLADDER and UTERUS.	2.91	4	0	polypeptide
pd 123319 PD123319 : An imidazopyridine consisting of 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine having 4-(dimethylamino)-3-methylbenzyl, diphenylacetyl and carboxy and groups at positions 1, 5 and 6 respectively	2.42	2	0	imidazopyridine	angiotensin receptor antagonist; endothelin receptor antagonist; vasoconstrictor agent
sq 29548 SQ 29548: SQ-26538 is the ((1S-1alpha,2beta(5Z),3beta(1E,3R*),4alpha))-isomer; thromboxane A2 antagonist; thromboxane receptor antagonist	2	1	0
kn 62 KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II	1.98	1	0	piperazines
sr 120819a SR 120819A: a selective neuropeptide Y Y1 receptor antagonist; structure given in first source	1.98	1	0
1,2-oleoylphosphatidylcholine 1,2-oleoylphosphatidylcholine: RN given refers to (Z,Z)-isomer. dioleoyl phosphatidylcholine : A phosphatidylcholine in which the phosphatidyl acyl groups are both oleoyl.	2.81	3	0	phosphatidylcholine(1+)
biliverdine [no description available]	2.41	1	0
cinnamyl alcohol cinnamyl alcohol: RN given refers to parent cpd without isomeric designation. (E)-cinnamyl alcohol : The E (trans) stereoisomer of cinnamyl alcohol.. cinnamyl alcohol : A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified).	2.89	3	0	cinnamyl alcohol	plant metabolite
(E)-3-(2-Hydroxyphenyl)-2-propenal [no description available]	2.41	1	0	cinnamaldehydes
calycosin-7-o-beta-d-glucopyranoside calycosin-7-O-beta-D-glucoside: from Radix Astragali. calycosin-7-O-beta-D-glucoside : A glycosyloxyisoflavone that is calycosin substituted by a beta-D-glucopyranosyl residue at position at 7 via a glycosidic linkage.	2.04	1	0	4'-methoxyisoflavones; 7-hydroxyisoflavones 7-O-beta-D-glucoside; hydroxyisoflavone; monosaccharide derivative
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one: isolated from the Chinese herb Scutellariae radix. oroxylin A : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-6.	2.6	1	0	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor
acetaldehyde oxime acetaldehyde oxime: structure. (E)-acetaldehyde oxime : The (E)-stereoisomer of acetaldehyde oxime.. acetaldehyde oxime : An aldoxime derived from acetaldehyde.	2.6	1	0	acetaldehyde oxime
thebaine Thebaine: A drug that is derived from opium, which contains from 0.3-1.5% thebaine depending on its origin. It produces strychnine-like convulsions rather than narcosis. It may be habit-forming and is a controlled substance (opiate) listed in the U.S. Code of Federal Regulations, Title 21 Part 1308.12 (1985). (From Merck Index, 11th ed)	2.36	2	0	morphinane alkaloid; organic heteropentacyclic compound
fluvoxamine Fluvoxamine: A selective serotonin reuptake inhibitor that is used in the treatment of DEPRESSION and a variety of ANXIETY DISORDERS.. fluvoxamine : An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder.	2.01	1	0	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
7,8-dimethylalloxazine 7,8-dimethylalloxazine: structure. 7,8-dimethylisoalloxazine : A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8.. lumichrome : A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution.	2.15	1	0	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
casein kinase ii Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression.	3.43	7	0
ag-490 [no description available]	2.42	2	0	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor
semaxinib semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.	2.01	1	0	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
fosbretabulin fosbretabulin: a microtubule destabilizing agent isolated from Combretum caffrum; structure in first source	2.49	2	0
ergothioneine ergothioneine thione form : A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a thioxo group.	1.93	1	0	1,3-dihydroimidazole-2-thiones; amino-acid betaine; L-histidine derivative; sulfur-containing amino acid	antioxidant; chelator; fungal metabolite; plant metabolite; xenobiotic metabolite
hemiasterlin hemiasterlin: structure in first source	2.04	1	0
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.	3.37	7	0	carbon group element atom; elemental lead; metal atom	neurotoxin
12-hydroxy-5,8,10,14-eicosatetraenoic acid 12-Hydroxy-5,8,10,14-eicosatetraenoic Acid: A lipoxygenase metabolite of ARACHIDONIC ACID. It is a highly selective ligand used to label mu-opioid receptors in both membranes and tissue sections. The 12-S-HETE analog has been reported to augment tumor cell metastatic potential through activation of protein kinase C. (J Pharmacol Exp Ther 1995; 274(3):1545-51; J Natl Cancer Inst 1994; 86(15):1145-51)	2.41	1	0
5-oxo-6,8,11,14-eicosatetraenoic acid 5-oxo-6,8,11,14-eicosatetraenoic acid: RN given is for cpd without isomeric designation; an arachidonate metabolite which stimulates neutrophils to mobilize Ca and promotes PMN degranulation responses	2.08	1	0
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid : A dihydroxy monocarboxylic acid that is N-isopropylindole which is substituted at position 3 by a p-fluorophenyl group and at position 2 by a 6-carboxy-3,5-dihydroxyhex-1-en-1-yl group. It has four possible diastereoisomers.	2.48	2	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
diamide Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells.	2.71	3	0	1,1'-azobis(N,N-dimethylformamide)
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid 15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid: A stable prostaglandin endoperoxide analog which serves as a thromboxane mimetic. Its actions include mimicking the hydro-osmotic effect of VASOPRESSIN and activation of TYPE C PHOSPHOLIPASES. (From J Pharmacol Exp Ther 1983;224(1): 108-117; Biochem J 1984;222(1):103-110)	2	1	0
antimony Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes.	2	1	0	metalloid atom; pnictogen
cesium Cesium: A member of the alkali metals. It has an atomic symbol Cs, atomic number 50, and atomic weight 132.91. Cesium has many industrial applications, including the construction of atomic clocks based on its atomic vibrational frequency.	4.15	17	0	alkali metal atom
indoleacrylic acid indoleacrylic acid: Russian drug; natural auxin from lentil roots; RN given refers to parent cpd without isomeric designation	2.17	1	0
barium Barium: An element of the alkaline earth group of metals. It has an atomic symbol Ba, atomic number 56, and atomic weight 138. All of its acid-soluble salts are poisonous.	8.85	12	0	alkaline earth metal atom; elemental barium
rubidium Rubidium: An element that is an alkali metal. It has an atomic symbol Rb, atomic number 37, and atomic weight 85.47. It is used as a chemical reagent and in the manufacture of photoelectric cells.	3.9	13	0	alkali metal atom
codeine phosphate [no description available]	2.1	1	0
aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.	5.16	15	0	boron group element atom; elemental aluminium; metal atom
levorphanol Levorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection.	9.24	4	1	morphinane alkaloid
strontium Strontium: An element of the alkaline earth family of metals. It has the atomic symbol Sr, atomic number 38, and atomic weight 87.62.	3.04	5	0	alkaline earth metal atom
bismuth Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.	2.08	1	0	metal atom; pnictogen
levallorphan Levallorphan: An opioid antagonist with properties similar to those of NALOXONE; in addition it also possesses some agonist properties. It should be used cautiously; levallorphan reverses severe opioid-induced respiratory depression but may exacerbate respiratory depression such as that induced by alcohol or other non-opioid central depressants. (From Martindale, The Extra Pharmacopoeia, 30th ed, p683)	1.94	1	0	morphinane alkaloid
dihydromorphine Dihydromorphine: A semisynthetic analgesic used in the study of narcotic receptors.	2.1	1	0	morphinane alkaloid
thallium Thallium: A heavy, bluish white metal, atomic number 81, atomic weight [204.382; 204.385], symbol Tl.. thallium : A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot).	2.86	4	0	boron group element atom
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	4.08	16	0	metalloid atom; pnictogen	micronutrient
indium Indium: A metallic element, atomic number 49, atomic weight 114.818, symbol In. It is named from its blue line in the spectrum.. indium atom : A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum.	1.99	1	0	boron group element atom
naltrexone Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.. naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.	6.74	18	1	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
morphine-6-glucuronide morphine-6-glucuronide: RN given refers to (5alpha,6alpha)-isomer	2.1	1	0	morphinane alkaloid
dextromethorphan Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity.. dextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough.	2.93	4	0	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
butorphanol Butorphanol: A synthetic morphinan analgesic with narcotic antagonist action. It is used in the management of severe pain.. butorphanol : Levorphanol in which a hydrogen at position 14 of the morphinan skeleton is substituted by hydroxy and one of the hydrogens of the N-methyl group is substituted by cyclopropyl. A semi-synthetic opioid agonist-antagonist analgesic, it is used as its (S,S)-tartaric acid salt for relief or moderate to severe pain.	2.1	1	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
methylnaltrexone methylnaltrexone: RN given refers to parent cpd(5alpha)-isomer	3.68	2	0	phenanthrenes
lisinopril Lisinopril: One of the ANGIOTENSIN-CONVERTING ENZYME INHIBITORS (ACE inhibitors), orally active, that has been used in the treatment of hypertension and congestive heart failure.	3.61	3	0	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril benazepril: structure given in first source. benazepril : A benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure.	2.42	2	0	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
ramipril Ramipril: A long-acting angiotensin-converting enzyme inhibitor. It is a prodrug that is transformed in the liver to its active metabolite ramiprilat.. ramipril : A dipeptide that is the prodrug for ramiprilat, the active metabolite obtained by hydrolysis of the ethyl ester group. An angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure.. quark : Quarks comprise one of two classes of the fundamental particles. Quarks possess fractional electric charges and are not observed in free state. The word "quark" first appears in James Joyce's Finnegans Wake and has been chosen by Murray Gell-Mann as a name for fundamental building blocks of particles.	2.41	2	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug
candoxatril candoxatril : The 2,3-dihydro-1H-inden-5-yl ester of the active enantiomer of candoxatrilat. Candoxatril is an orally active prodrug of candoxatrilat, a potent neutral endopeptidase (NEP, neprilysin) inhibitor used in the treatment of chronic heart failure.	1.99	1	0
batimastat batimastat: structure given in first source; a synthetic matrix metalloproteinase inhibitor. batimastat : A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor.	15.2	308	6	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor
indinavir sulfate Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.	2	1	0	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.	13.65	43	1	chalcogen; nonmetal atom	macronutrient
ethyl oleate [no description available]	2.07	1	0	long-chain fatty acid ethyl ester	acaricide; plant metabolite
2,3-oxidosqualene 2,3-oxidosqualene: an oxidized derivative of SQUALENE that can fold in several ways: chair-boat-chair-boat to LANOSTEROL; chair-chair-chair-boat to dammarane; or all chair to hopane and on to cycloartenol; RN given refers to (all-Z)-isomer. 2,3-epoxysqualene : A squalene triterpenoid obtained by formal epoxidation across the 2,3 C=C bond of squalene.	2.6	1	0	epoxide; squalene triterpenoid
indolylacryloylglycine indolylacryloylglycine: chromogen found in urine; RN given refers to cpd without isomeric designation	2.07	1	0	N-acyl-amino acid
isoalloxazine isoalloxazine: structure	2.45	2	0	benzo[g]pteridine-2,4-dione
plastoquinone [no description available]	2	1	0	plastoquinone
5-deazaflavin [no description available]	1.96	1	0	pyridopyrimidine
diphenylhexatriene Diphenylhexatriene: A fluorescent compound that emits light only in specific configurations in certain lipid media. It is used as a tool in the study of membrane lipids.	2.44	2	0	alkatriene	fluorochrome
enalapril Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE.. enalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).	2.94	4	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
nitrofurazone Nitrofurazone: A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial WOUNDS AND INJURIES and skin infections. Nitrofurazone has also been administered orally in the treatment of TRYPANOSOMIASIS.. nitrofurazone : A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections.	1.95	1	0
catharanthine [no description available]	2	1	0	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound
cytochalasin a [no description available]	2.13	1	0	cytochalasin
cytochalasin e cytochalasin E: structure	2	1	0	cytochalasan alkaloid	metabolite
dimyristoylphosphatidylcholine 1,2-di-O-myristoyl-sn-glycero-3-phosphocholine : A 1,2-diacyl-sn-glycero-3-phosphocholine where the two phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).. dimyristoyl phosphatidylcholine : A phosphatidylcholine where the phosphatidyl acyl groups are specified as tetradecanoyl (myristoyl).	8.84	11	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
ecdysterone Ecdysterone: A steroid hormone that regulates the processes of MOLTING or ecdysis in insects. Ecdysterone is the 20-hydroxylated ECDYSONE.. 20-hydroxyecdysone : An ecdysteroid that is ecdysone substituted by a hydroxy group at position 20.	2	1	0	14alpha-hydroxy steroid; 20-hydroxy steroid; 22-hydroxy steroid; 25-hydroxy steroid; 2beta-hydroxy steroid; 3beta-sterol; ecdysteroid; phytoecdysteroid	animal metabolite; plant metabolite
deoxyribose [no description available]	8.25	6	0	deoxypentose	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
fumarates Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)	8.26	12	2	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
beryllium Beryllium: An element with the atomic symbol Be, atomic number 4, and atomic weight 9.01218. Short exposure to this element can lead to a type of poisoning known as BERYLLIOSIS.. beryllium atom : Alkaline earth metal atom with atomic number 4.	2.86	4	0	alkaline earth metal atom; elemental beryllium; metal allergen	adjuvant; carcinogenic agent; epitope
astatine Astatine: Astatine. A radioactive halogen with the atomic symbol At, and atomic number 85. Its isotopes range in mass number from 200 to 219 and all have an extremely short half-life. Astatine may be of use in the treatment of hyperthyroidism because it emits ALPHA PARTICLES.	2.47	2	0	elemental astatine
seleninic acid [no description available]	2.08	1	0	selenium oxoacid
pyrrolysine pyrrolysine: encoded by a stop codon in archaea. L-pyrrolysine : A N(6)-acyl-L-lysine having (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl as the N(6)-acyl group.. pyrrolysine : An N-acyl-amino acid that is lysine in which one of the amino nitrogens at position N6 is replaced by a 3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl group.	3.24	5	0	amino acid zwitterion; N(6)-acyl-L-lysine; proteinogenic amino acid; pyrrolysine
tyrosine [no description available]	3.28	6	0	alpha-amino-acid radical
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	14.47	368	6	cysteinium	fundamental metabolite
thyronines Thyronines: A group of metabolites derived from THYROXINE and TRIIODOTHYRONINE via the peripheral enzymatic removal of iodines from the thyroxine nucleus. Thyronine is the thyroxine nucleus devoid of its four iodine atoms.. thyronine : A tyrosine derivative where the phenolic hydrogen of tyrosine is substituted by 4-hydroxyphenyl.	3.19	6	0	thyronine
silicon Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086].	9.06	15	0	carbon group element atom; metalloid atom; nonmetal atom
indium [no description available]	2.15	1	0
phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.	5.24	17	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
boron Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY.	10.61	80	6	boron group element atom; metalloid atom; nonmetal atom	micronutrient
heroin Heroin: A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed). heroin : A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses.	2.38	2	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
enalaprilat anhydrous Enalaprilat: The active metabolite of ENALAPRIL and one of the potent, intravenously administered, ANGIOTENSIN-CONVERTING ENZYME INHIBITORS. It is an effective agent for the treatment of essential hypertension and has beneficial hemodynamic effects in heart failure. The drug produces renal vasodilation with an increase in sodium excretion.. enalaprilat dihydrate : The dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection.. enalaprilat (anhydrous) : Enalapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid. Enalaprilat is an angiotensin-converting enzyme (ACE) inhibitor and is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is given by intravenous injection, usually as the dihydrate.	2.48	2	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
normorphine normorphine: RN given refers to (5 alpha,6 alpha)-isomer	2.1	1	0	morphinane alkaloid
gluconasturtiin gluconasturtiin: hydrolysis yields phenylethyl isothiocyanate; structure in first source. gluconasturtiin : An aralkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 3-phenyl-N-(sulfooxy)propanimidoyl group at the anomeric sulfur.	1.94	1	0	aralkylglucosinolic acid; benzenes
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source	2.5	2	0
ramiprilat ramiprilat : A dipeptide that is the active metabolite of ramipril. An angiotensin-converting enzyme (ACE) inhibitor, used to treat high blood pressure and congestive heart failure.	2.41	2	0	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid; dipeptide	bradykinin receptor B2 agonist; cardioprotective agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor
bergamottin bergamottin: constituent of bergamot oil; structure given in first source	2	1	0	furanocoumarin	metabolite
pinostilbene pinostilbene: structure in first source. 3-methoxy-4',5-dihydroxy-trans-stilbene : A stilbenoid that is trans-resveratrol in which one of the meta-hydroxy groups is converted to the corresponding methyl ether.	2.13	1	0	stilbenol
pepstatin pepstatin: inhibits the aspartic protease endothiapepsin	2.69	3	0	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor
cefepime Cefepime: A fourth-generation cephalosporin antibacterial agent that is used in the treatment of infections, including those of the abdomen, urinary tract, respiratory tract, and skin. It is effective against PSEUDOMONAS AERUGINOSA and may also be used in the empiric treatment of FEBRILE NEUTROPENIA.. cefepime : A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.	2.1	1	0	cephalosporin; oxime O-ether	antibacterial drug
bb 2116 [no description available]	3.5	2	0
succinyl-trialanine-4-nitroanilide succinyl-trialanine-4-nitroanilide: synthetic substrate of porcine pancreatic elastase	1.96	1	0
ici 118551 ICI 118551: RN given refers to (R,R)-(+-)-isomer; structure in first source; ICI 111581 is hydrochloride of ICI 118551. ICI 118551 : An indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer).	2.03	1	0	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
morphine-3-glucuronide morphine-3-glucuronide: RN given refers to (5alpha,6alpha)-isomer	2.1	1	0	morphinane alkaloid
ay 25,205 surfagon: potent LHRH agonist; RN given refers to (D-Ala-L-Pro)-isomer	1.96	1	0
dermorphin dermorphin: opiate-like peptide present in amphibian skin	8.61	9	0	oligopeptide
enkephalin, ala(2)-mephe(4)-gly(5)- Enkephalin, Ala(2)-MePhe(4)-Gly(5)-: An enkephalin analog that selectively binds to the MU OPIOID RECEPTOR. It is used as a model for drug permeability experiments.	3.69	10	0
n-methylnaloxone N-methylnaloxone: quaternary derivative of naloxone	2.39	2	0
achatin i achatin I: neuroexcitatory tetrapeptide from Achatina fulica Ferussac (African giant snail); achatin-I has D-Phe residue; achatin-II has L-Phe	2.38	2	0
succinyl-alanyl-alanyl-prolyl-phenylalanine-4-nitroanilide succinyl-alanyl-alanyl-prolyl-phenylalanine-4-nitroanilide: chromogenic chymotrypsin substrate	2.53	2	0
pregabalin Pregabalin: A gamma-aminobutyric acid (GABA) derivative that functions as a CALCIUM CHANNEL BLOCKER and is used as an ANTICONVULSANT as well as an ANTI-ANXIETY AGENT. It is also used as an ANALGESIC in the treatment of NEUROPATHIC PAIN and FIBROMYALGIA.. pregabalin : A gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues.	2	1	0	gamma-amino acid	anticonvulsant; calcium channel blocker
alanyllactate D-alanyl-(R)-lactic acid : A D-alanyl ester that results from the formal condensation of the alcoholic hydroxy group of (2R)-lactic acid with the carboxylic acid group of D-alanine.	1.99	1	0	D-alanyl ester; depsipeptide; zwitterion
biphalin biphalin: enkephalin dimer; two fragments of Ala(2)-enkephalin are connected by a diamine bridge to form above cpd; structure given in first source	7.44	2	0
phenylalanylalanine phenylalanylalanine: RN given refers to (L)-isomer. Phe-Ala : A dipeptide formed from L-phenylalanine and L-alanine residues.	2.04	1	0	dipeptide zwitterion; dipeptide	metabolite
zinc(ii) tetrakis(4-carboxyphenyl)porphine zinc(II) tetrakis(4-carboxyphenyl)porphine: structure given in first source	1.97	1	0
zinc tetra(4-n-methylpyridyl)porphine [no description available]	1.97	1	0
methotrexate-alpha-alanine methotrexate-alpha-alanine: RN given is for L-Ala, L-Gln isomer	2.39	2	0
pbc 264 pBC 264: CCK agonist; RN given refers to 3H-labeled cpd; RN for unlabeled cpd not avail 10/90; do not confuse with BC 264	1.98	1	0
thiosemicarbazone h thiosemicarbazone H: antibacterial & antiparasitic properties; structure given in first source	1.96	1	0
bms 806 BMS 806: prevents entry of HIV into cells by binding HIV envelope protein gp120; no further info available 4/2002	2.02	1	0
n-acetylsphingosine N-acetylsphingosine: inhibits phospholipase D. N-acetylsphingosine : A N-acylsphingosine that has an acetamido group at position 2.	2.4	2	0	N-acylsphingosine
crotonyl-coenzyme a crotonoyl-CoA : The (E)-isomer of but-2-enoyl-CoA.	2	1	0	but-2-enoyl-CoA
triolein Triolein: (Z)-9-Octadecenoic acid 1,2,3-propanetriyl ester.. triolein : A triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil.	7.64	3	0	triglyceride	Caenorhabditis elegans metabolite; plant metabolite
naltrindole naltrindole: delta opioid receptor antagonist	3.7	10	0	isoquinolines
famotidine [no description available]	2.05	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
bafilomycin a [no description available]	2.06	1	0
abscisic acid Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold.	2.47	2	0	2-trans-abscisic acid
n-caproylsphingosine N-(hexanoyl)sphing-4-enine : An N-acylsphingosine consisting of sphing-4-enine bearing a hexanoyl group on nitrogen.	2	1	0	N-acylsphingosine
phenyldehydroalanine [no description available]	6.98	56	0
carbocyanines Carbocyanines: Compounds that contain three methine groups. They are frequently used as cationic dyes used for differential staining of biological materials.	3.15	5	0	cyanine dye; organic iodide salt	fluorochrome
n-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate: inhibitor of Endopeptidase-24.15	2.68	3	0
gi 129471 GI 129471: metalloprotease inhibitor that blocks TNF-alpha secretion; structure given in first source	4.6	8	0
viroxime [no description available]	2.1	1	0
3-methyl-2-benzothiazolone hydrazone 3-methyl-2-benzothiazolone hydrazone: RN given refers to parent cpd	1.94	1	0
germacrene a germacrene A: RN given for (S-(E,E))-isomer; structure in first source	2.02	1	0	germacrene; sesquiterpene
1,2-dielaidoylphosphatidylethanolamine 1,2-dielaidoylphosphatidylethanolamine: RN given refers to (E,E)-isomer; member of a class of cationic lipid formulations called cytofectins	2.1	1	0
gw-5074 [no description available]	2.13	1	0
bis(3,5-dibromosalicyl)fumarate bis(3,5-dibromosalicyl)fumarate: structure	3.06	1	0
ammonium sulfate Ammonium Sulfate: Sulfuric acid diammonium salt. It is used in CHEMICAL FRACTIONATION of proteins.. ammonium sulfate : An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils.	5.04	43	0	ammonium salt; inorganic sulfate salt	fertilizer
caffeoyl-coenzyme a caffeoyl-coenzyme A: structure given in first source	2.01	1	0
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid 4,4'-Diisothiocyanostilbene-2,2'-Disulfonic Acid: An inhibitor of anion conductance including band 3-mediated anion transport.	1.96	1	0
saralasin Saralasin: An octapeptide analog of angiotensin II (bovine) with amino acids 1 and 8 replaced with sarcosine and alanine, respectively. It is a highly specific competitive inhibitor of angiotensin II that is used in the diagnosis of HYPERTENSION.	1.98	1	0	oligopeptide
tetrodotoxin Tetrodotoxin: An aminoperhydroquinazoline poison found mainly in the liver and ovaries of fishes in the order TETRAODONTIFORMES, which are eaten. The toxin causes paresthesia and paralysis through interference with neuromuscular conduction.. tetrodotoxin : A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels.	3.67	10	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
germanium Germanium: A rare metal element with a blue-gray appearance and atomic symbol Ge, atomic number 32, and atomic weight 72.63.	2.08	1	0	carbon group element atom; metalloid atom; nonmetal atom
selenium Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE.	12.13	27	0	chalcogen; nonmetal atom	micronutrient
tellurium Tellurium: An element that is a member of the chalcogen family. It has the atomic symbol Te, atomic number 52, and atomic weight 127.60. It has been used as a coloring agent and in the manufacture of electrical equipment. Exposure may cause nausea, vomiting, and CNS depression.	7.94	4	0	chalcogen; metalloid atom
oxalates Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure.	3.37	7	0
boron-10 atom boron-10 atom : A stable isotope of boron with relative atomic mass 10.0129370, 19.9 atom percent natural abundance and nuclear spin 3+.	3.76	2	0	boron atom
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid Fluvastatin: An indole-heptanoic acid derivative that inhibits HMG COA REDUCTASE and is used to treat HYPERCHOLESTEROLEMIA. In contrast to other statins, it does not appear to interact with other drugs that inhibit CYP3A4.. (3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid : A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which both chiral centres have S configuration.. fluvastatin : A racemate comprising equimolar amounts of (3R,5S)- and (3S,5R)-fluvastatin. An HMG-CoA reductase inhibitor, it is used (often as the corresponding sodium salt) to reduce triglycerides and LDL-cholesterol, and increase HDL-chloesterol, in the treatment of hyperlipidaemia.	2.44	2	0	(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
beta-naphthylalanine [no description available]	2.35	2	0
(-)-catechin-3-O-gallate (-)-catechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin.	2.41	1	0	flavans; gallate ester; polyphenol	metabolite
raubasine raubasine: RN given refers to (19alpha)-isomer; structure	2	1	0	yohimban alkaloid
dizocilpine maleate Dizocilpine Maleate: A potent noncompetitive antagonist of the NMDA receptor (RECEPTORS, N-METHYL-D-ASPARTATE) used mainly as a research tool. The drug has been considered for the wide variety of neurodegenerative conditions or disorders in which NMDA receptors may play an important role. Its use has been primarily limited to animal and tissue experiments because of its psychotropic effects.. dizocilpine maleate : A maleate salt obtained by reaction of dizocilpine with one equivalent of maleic acid.	2.42	2	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
antimycin a Antimycin A: An antibiotic substance produced by Streptomyces species. It inhibits mitochondrial respiration and may deplete cellular levels of ATP. Antimycin A1 has been used as a fungicide, insecticide, and miticide. (From Merck Index, 12th ed). antimycin A : A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison.	2.64	3	0	amidobenzoic acid
prolylglycine prolylglycine: RN given refers to (L)-isomer. L-prolylglycine : A dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen.	2.41	2	0	dipeptide zwitterion; dipeptide
hexanoylcarnitine hexanoylcarnitine: RN given refers to chloride salt; RN for parent cpd not available 11/89. O-hexanoylcarnitine : An O-acylcarnitine compound having hexanoyl as the acyl substituent.	2.06	1	0	hexanoate ester; O-acylcarnitine	human metabolite
pregnanediol [no description available]	2.15	1	0
phenylalanyl-prolyl diketopiperazine [no description available]	1.96	1	0
cholestanol Cholestanol: A cholesterol derivative found in human feces, gallstones, eggs, and other biological matter.	2.25	1	0	cholestanoid
s-(1,2-dichlorovinyl)cysteine S-(1,2-dichlorovinyl)cysteine: RN given refers to (L-Cys)-isomer; structure given in first source. S-(cis-1,2-dichlorovinyl)-L-cysteine : An S-(1,2-dichlorovinyl)-L-cysteine in which the dichlorovinyl group has cis- (Z-) geometry.	2.39	2	0	S-(1,2-dichlorovinyl)-L-cysteine
hygromycin a hygromycin A: a cinnamide derivative produced by Streptomyces hygroscopicus; structure differs from HYGROMYCIN B	1.97	1	0	hydroxycinnamic acid	metabolite
bambermycins Bambermycins: Antibiotic complex obtained from Streptomyces bambergiensis containing mainly Moenomycins A and C. They are used as feed additives and growth promoters for poultry, swine, and cattle.	2.02	1	0
cilastatin [no description available]	1.98	1	0	carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide	EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic
1-palmitoyl-2-oleoylphosphatidylcholine 1-palmitoyl-2-oleoylphosphatidylcholine: RN given refers to (Z)-isomer	2.96	4	0
nitrocefin nitrocefin: chromogenic cephalosporin used for detection of beta-lactamase activity; Cefinase is name for nitrocefin on paper disc; RN given refers to (6R-(3(E),6 alpha,7 beta))-isomer; structure for mono-Na salt in second source	2.01	1	0
bafilomycin a1 bafilomycin A1: from Streptomyces griseus; structure given in first source. bafilomycin A1 : The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.	1.98	1	0	cyclic hemiketal; macrolide antibiotic; oxanes	apoptosis inducer; autophagy inhibitor; bacterial metabolite; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; ferroptosis inhibitor; fungicide; potassium ionophore; toxin
triticonazole triticonazole: a fungicide triticonazole. triticonazole : A racemate comprising equal amounts of (R)- and (S)-triticonazole. A seed treatment fungicide for the control of common bunt, loose smut and covered smut on barley, oats and wheat.	2.41	1	0
n-oleoylglycine oleoylglycine: long chain fatty acyl glycine. N-oleoylglycine : A fatty acid derivative that is the 9Z-octadecenoyl derivative of glycine. It is believed to be an intermediate in oleamide biosynthesis.	2.6	1	0	fatty amide; N-acylglycine 18:1	metabolite
involucrin involucrin: soluble precursor protein of cross-linked envelope characteristic of epidermal s. corneum synthesized by keratinocytes in natural & cultured human epithelia; see also related records for prekeratin & stratum corneum basic protein precursor	2.02	1	0
mucidin mucidin: produced by basidiomycete Oudemansiella mucida; strobilurin A produced by wood rot fungus Strobilurus tenacellus;. mucidin : An enoate ester that is the methyl ester of (2E,3Z,5E)-2-(methoxymethylene)-3-methyl-6-phenylhexa-3,5-dienoic acid.	1.96	1	0	enoate ester; enol ether	antifungal agent; fungal metabolite
mycaminosyltylonolide mycaminosyltylonolide: structure given in first source. 5-O-mycaminosyltylonolide : A macrolide antibiotic that is tylonolide having a beta-D-mycaminosyl residue attached at position 5.	2.03	1	0	aldehyde; enone; macrolide antibiotic; monosaccharide derivative
cgp 39653 CGP 39653: NMDA receptor antagonist; structure given in first source	1.98	1	0
squalestatin 1 squalestatin 1: structure given in first source; inhibits both mammalian and fungal squalene synthetase; from fungus Phoma sp (Coelomycetes). zaragozic acid A : A polyketide isolated from fungi that is a potent inhibitor of fungal and mammalian squalene synthase.	1.99	1	0	acetate ester; cyclic ketal; oxabicycloalkane; polyketide; tertiary alcohol; tricarboxylic acid	EC 2.5.1.21 (squalene synthase) inhibitor; fungal metabolite
s-farnesylcysteine S-farnesylcysteine: structural component of Saccharomyces cerevisiae mating hormone a-factor. S-[(2E,6E)-farnesyl]-L-cysteine : An S-farnesyl-L-cysteine where the C=C double bonds at the 2- and 6-positions both have (E)-configuration.	2.07	1	0	amino acid zwitterion; S-farnesyl-L-cysteine; S-polyprenyl-L-cysteine zwitterion
1,2-dioleoylphosphatidylserine 1,2-dioleoylphosphatidylserine: RN given in first source; RN given refers to (R-(Z,Z))-isomer; RN for cpd without isomeric designation not available 6/90. 1,2-dioleoyl-sn-glycero-3-phospho-L-serine : A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups are both oleoyl.. phosphatidylserine(18:1/18:1) : A 3-sn-phosphatidyl-L-serine in which the 1- and 2-acyl groups are octadecenoyl groups.	2.11	1	0	phosphatidylserine(18:1/18:1)	mouse metabolite
4-coumaroyl-coenzyme a 4-coumaroyl-coenzyme A: structure given in first source. trans-4-coumaroyl-CoA : A 4-coumaroyl-CoA in which the double bond of the coumaroyl group has trans-geochemistry.. 4-coumaroyl-CoA : The S-(4-coumaroyl) derivative of coenzyme A.	2.11	1	0	4-coumaroyl-CoA
rupintrivir rupintrivir: a rhinovirus 3C protease inhibitor	10.64	46	2
6',7'-dihydroxybergamottin 6',7'-dihydroxybergamottin: structure given in first source	2	1	0	psoralens
bacteriochlorophylls Bacteriochlorophylls: Pyrrole containing pigments found in photosynthetic bacteria.	3.27	6	0
ergosta-4,6,8(14),22-tetraen-3-one ergosta-4,6,8(14),22-tetraen-3-one: antineoplastic, non-toxic fungal steroid. ergosta-4,6,8(14),22-tetraen-3-one : An ergostanoid that is (22E)-ergosta-4,6,8(14),22-tetraene substituted by an oxo group at position 3. It has been isolated from the mycelia of Cordyceps sinensis.	2.07	1	0	3-oxo-Delta(4) steroid; ergostanoid	fungal metabolite
mulberroside a mulberroside A: structure in first source	7	1	0	glycoside; stilbenoid
hydroxysafflor yellow a hydroxysafflor yellow A: from Carthamus tinctorius; structure given in first source. hydroxysafflor yellow A : A C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius).	7.21	1	0
4,5-epoxy-2-heptenal [no description available]	2.42	2	0	enal
kedarcidin chromophore kedarcidin chromophore: a 9-membered enediyne, isolated from an actinomycete strain; embedded in kedarcidin peptide; extremely active against P388 leukemia & B16 melanoma; structure given in first source	2.08	1	0
4-oxo-2-nonenal 4-oxo-2-nonenal: reacts with 2'-deoxyguanosine; a product of lipid peroxidation; structure in first source. (E)-4-oxonon-2-enal : The enal that is (E)-non-2-enal substituted with an oxo group at C-4.	2.78	3	0	enal; enone	human metabolite
cdw17 antigen [no description available]	2.02	1	0
salvianolic acid B salvianolic acid B: isolated from Salvia miltiorrhiza. salvianolic acid B : A member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza	2.31	1	0	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite
i(3)so3-galactosylceramide Sulfoglycosphingolipids: GLYCOSPHINGOLIPIDS with a sulfate group esterified to one of the sugar groups.. 1-(3-O-sulfo-beta-D-galactosyl)-N-tetracosanoylsphingosine : A D-galactosyl-N-acylsphingosine having a sulfo group at the 3-position on the galactose ring and tetracosanoyl as the N-acyl group.	3.21	6	0	galactosylceramide sulfate; N-acyl-beta-D-galactosylsphingosine
oxepins Oxepins: Compounds based on a 7-membered heterocyclic ring including an oxygen. They can be considered a medium ring ether. A natural source is the MONTANOA plant genus. Some dibenzo-dioxepins, called depsidones, are found in GARCINIA plants.	2.39	2	0
fluorescein thiosemicarbazide [no description available]	1.95	1	0
rosaramicin rosaramicin: RN given refers to parent cpd. rosaramicin : A macrolide antibiotic with activity against Neisseria gonorrhoeae, Chlamydia trachomatis, Ureaplasma urealyticum and Mycoplasma hominis.	2.1	1	0	aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
paclobutrazol paclobutrazol: RN given refers to (R,R)-(+-)-isomer. paclobutrazol : A racemate comprising equimolar amounts of (2R,3R)- and (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol. It acts as a plant-growth retardant and fungicide via inhibition of gibberellin biosynthesis.	2.1	1	0
beta-escin [no description available]	2.66	3	0
aureothin aureothin: isolated from culture MA-2465; structure. aureothin : A C-nitro compound that is (3Z)-3-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran which is substituted by a 6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl group at position 5. It is isolated from the soil bacterium, Streptomyces thioluteus and exhibits antitumor, antifungal, and insecticidal activities.	2.21	1	0	4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes	antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor
melibiose alpha-D-Galp-(1->6)-alpha-D-Glcp : A glycosylglucose consisting of alpha-D-galactopyranose and alpha-D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond.	7.38	2	0	glycosylglucose
nitrofurantoin Nitrofurantoin: A urinary anti-infective agent effective against most gram-positive and gram-negative organisms. Although sulfonamides and antibiotics are usually the agents of choice for urinary tract infections, nitrofurantoin is widely used for prophylaxis and long-term suppression.. nitrofurantoin : An imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA.	1.95	1	0	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
ca 074 methyl ester [no description available]	2.11	1	0
gadolinium dtpa Gadolinium DTPA: A complex of gadolinium with a chelating agent, diethylenetriamine penta-acetic acid (DTPA see PENTETIC ACID), that is given to enhance the image in cranial and spinal MRIs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p706)	3.13	5	0	gadolinium coordination entity	MRI contrast agent
morphinans Morphinans: Compounds based on a partially saturated iminoethanophenanthrene, which can be described as ethylimino-bridged benzo-decahydronaphthalenes. They include some of the OPIOIDS found in PAPAVER that are used as ANALGESICS.	5.54	5	1	isoquinoline alkaloid fundamental parent; morphinane alkaloid
ergoline Ergolines: A series of structurally-related alkaloids that contain the ergoline backbone structure.. ergoline : An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors.	4.16	5	0	diamine; ergoline alkaloid; indole alkaloid fundamental parent; indole alkaloid; organic heterotetracyclic compound
corrole corrole: structure in first source. corrole : A tetrapyrrole fundamental parent that is the octadehydro drivative of corrin.	2.13	1	0
carboxyl radical [no description available]	2.03	1	0	carbon oxide; organic radical anion	xenobiotic metabolite
3-nitrobenzaldehyde isonicotinoylhydrazone 3-nitrobenzaldehyde isonicotinoylhydrazone: structure in first source	2.15	1	0
sq-23377 Ionomycin: A divalent calcium ionophore that is widely used as a tool to investigate the role of intracellular calcium in cellular processes.. ionomycin : A very long-chain fatty acid that is docosa-10,16-dienoic acid which is substituted by methyl groups at positions 4, 6, 8, 12, 14, 18 and 20, by hydroxy groups at positions 11, 19 and 21, and by a (2',5-dimethyloctahydro-2,2'-bifuran-5-yl)ethanol group at position 21. An ionophore produced by Streptomyces conglobatus, it is used in research to raise the intracellular level of Ca(2+) and as a research tool to understand Ca(2+) transport across biological membranes.	2.68	3	0	cyclic ether; enol; polyunsaturated fatty acid; very long-chain fatty acid	calcium ionophore; metabolite
roxithromycin (E)-roxithromycin : A major geometrical isomer of roxithromycin.	2.1	1	0	roxithromycin	environmental contaminant; xenobiotic
cefdinir [no description available]	2.1	1	0	cephalosporin; ketoxime	antibacterial drug
enkephalin, leucine-2-alanine Enkephalin, Leucine-2-Alanine: A delta-selective opioid (ANALGESICS, OPIOID). It can cause transient depression of mean arterial blood pressure and heart rate.	3.07	5	0
dexniguldipine niguldipine: structure given in first source; clinical modulator of multidrug resistance	2	1	0	diarylmethane
perfosfamide [no description available]	2.38	2	0
rmp 7 RMP 7: a synthetic bradykinin analog; selectively increases uptake of molecular tracers in RG2 glial tumors	2.69	3	0
soblidotin soblidotin: a dolastatin 10 derivative; RN refers to (2S-(1(1R(R),2S),2R(1S,2S)))-isomer; structure given in first source. soblidotin : A tetrapeptide derivative of dolastatin 10. It is an inhibitor of tubulin polymerization which exhibits potent antitumor activity.	2.03	1	0	tetrapeptide	antineoplastic agent; apoptosis inducer; microtubule-destabilising agent
bay 12-9566 Bay 12-9566: an angiogenesis inhibitor with matrix metalloproteinase inhibitory activity	4.31	3	0	biphenyls; organochlorine compound
beta-elemene beta-elemene: increases tumor cell immunogenicity by inducing, at least in part, elevated expression of heat shock protein 70 on tumor cell surface. beta-elemene : A sesquiterpene that consists of cyclohexane bearing methyl and vinyl substituents at position 1 as well as two isopropenyl substituents at positions 2 and 4.. (-)-beta-elemene : The (-)-enantiomer of beta-elemene that has (1S,2S,4R)-configuration.	2.41	1	0	beta-elemene	antineoplastic agent
ucb 35625 UCB 35625: J-113863 is the (trans)-isomer; structure in first source	2.08	1	0
vildagliptin [no description available]	4.7	3	2	amino acid amide
hti-286 HTI-286: a synthetic analog of the tripeptide hemiasterlin; structure in first source	2.04	1	0
3-tyrosine 3-tyrosine: RN given refers to cpd with unspecified isomeric designation. L-m-tyrosine : A hydroxyphenylalanine that is L-phenylalanine with a substituent hydroxy group at position 3.	7.49	21	1	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite
3-hydroxyphenylacetate [no description available]	1.96	1	0	hydroxy monocarboxylic acid anion	human xenobiotic metabolite
tryptophanol tryptophanol: RN given refers to cpd without isomeric designation	2.73	3	0
phenylalanylglycine phenylalanylglycine: RN given refers to (DL)-isomer. Phe-Gly : A dipeptide formed from L-phenylalanine and glycine residues.	2.92	4	0	dipeptide	metabolite
leucyl-phenylalanine Leu-Phe : A dipeptide formed from L-leucine and L-phenylalanine residues.	2.69	3	0	dipeptide	metabolite
glycyl-alanyl-phenylalanine [no description available]	2.05	1	0	oligopeptide
glycyl-alanyl-leucine glycyl-alanyl-leucine: RN given refers to all (L)-isomer; RN for cpd without isomeric designation not avail 9/91	1.97	1	0	peptide
methionylglycine methionylglycine: RN given refers to (L)-isomer. Met-Gly : A dipeptide formed from L-methionine and glycine residues.	2.05	1	0	dipeptide	metabolite
phenylalanylphenylalanine Phe-Phe : A dipeptide formed from two L-phenylalanine residues.	2.41	2	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human blood serum metabolite; Mycoplasma genitalium metabolite
histidylhistidine histidylhistidine: RN given for L-,L-isomer	2.05	1	0	dipeptide	Mycoplasma genitalium metabolite
valylleucine valylleucine: RN given refers to all L-isomer. Val-Leu : A dipeptide formed from L-valine and L-leucine residues.	2.4	2	0	dipeptide	metabolite
beta-hydroxyleucine beta-hydroxyleucine: RN given refers to (L)-isomer	2	1	0
bromopyruvate [no description available]	2.38	2	0	2-oxo monocarboxylic acid anion
alanylglycine [no description available]	2.4	2	0	dipeptide zwitterion; dipeptide	metabolite
carbobenzoxyglycylphenylalanine carbobenzoxyglycylphenylalanine: used as substrate for carboxypeptidase B; RN given refers to (L-Phe)-isomer	1.96	1	0
7-azatryptophan 7-azatryptophan: RN given refers to cpd without isomeric designation; structure	2.35	2	0
alpha-glutamyltryptophan Trp-Glu : A dipeptide formed from L-tryptophan and L-glutamic acid residues.	2.4	2	0	dipeptide	metabolite
methionylglutamic acid Met-Glu : A dipeptide formed from L-methionine and L-glutamic acid residues.	2.05	1	0	dipeptide	metabolite
4-benzoylphenylalanine 4-benzoylphenylalanine: structure in first source; do not confuse with N-benzoylphenylalanine	6.5	54	0
phenylalanylproline Phe-Pro : A dipeptide formed from L-phenylalanine and L-proline residues.	2.67	3	0	dipeptide	metabolite
staurosporine staurosporinium : Conjugate acid of staurosporine.	4.63	8	0	ammonium ion derivative
aminomethyltransferase Aminomethyltransferase: A one-carbon group transferase that transfers lipoamide-linked methylamine groups to tetrahydrofolate (TETRAHYDROFOLATES) to form methylenetetrahydrofolate and AMMONIA. It is one of four components of the glycine decarboxylase complex.	1.97	1	0
prolylisoleucine prolylisoleucine: RN refers to (L)-isomer. Pro-Ile : A dipeptide formed from L-proline and L-isoleucine residues.	1.97	1	0	dipeptide	metabolite
phenylalanyl-valine phenylalanyl-valine: structure in first source. Phe-Val : A dipeptide formed from L-phenylalanine and L-valine residues.	2.05	1	0	dipeptide	metabolite
n-diazoacetylnorleucine methyl ester N-diazoacetylnorleucine methyl ester: a pepsin inhibitor; RN given refers to (DL)-isomer; structure. N-diazoacetylnorleucine methyl ester : A diazonium betaine obtained by the deprotonation of the hydroxy group of (Z)-2-hydroxy-2-{[(2S)-1-methoxy-1-oxohexan-2-yl]amino}ethenediazonium.	2.37	2	0
7-methoxy-4-(aminomethyl)coumarin 7-methoxy-4-(aminomethyl)coumarin: substrate for cytochrome P450 2D6; structure in first source	7.02	1	0
phosphocreatine Phosphocreatine: An endogenous substance found mainly in skeletal muscle of vertebrates. It has been tried in the treatment of cardiac disorders and has been added to cardioplegic solutions. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1996). phosphagen : Any of a group of guanidine or amidine phosphates that function as storage depots for high-energy phosphate in muscle with the purpose of regenerating ATP from ADP during muscular contraction.. N-phosphocreatine : A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group.	5.54	17	1	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
grayanotoxin i grayanotoxin I: RN given refers to (3beta,6beta,14R)-isomer; structure. grayanotoxin I : A tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups.	2.01	1	0	acetate ester; pentol; secondary alcohol; tertiary alcohol; tetracyclic diterpenoid	antihypertensive agent; metabolite; neuromuscular agent; phytotoxin
2,5-diketogluconate 2,5-diketogluconate: RN given refers to calcium salt. 2,5-didehydro-D-gluconate : Conjugate base of 2,5-didehydro-D-gluconic acid.	2.01	1	0	2-oxo monocarboxylic acid anion
taxane taxane: produced by Taxomyces andreanae	2.13	1	0	diterpene; terpenoid fundamental parent
chlorhexidine Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.	2.76	3	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
formazans Formazans: Colored azo compounds formed by the reduction of tetrazolium salts. Employing this reaction, oxidoreductase activity can be determined quantitatively in tissue sections by allowing the enzymes to act on their specific substrates in the presence of tetrazolium salts.	2.02	1	0
fenpyroximate fenpyroximate: structure in first source	2.17	1	0	pyrazole acaricide; tert-butyl ester	mitochondrial NADH:ubiquinone reductase inhibitor
s-nitrosocysteine S-nitrosocysteine: A sulfur-containing alkyl thionitrite that is a nitric oxide donor.. S-nitroso-L-cysteine : An L-cysteine derivative in which the sulfur atom carries a nitroso substituent. A cell-permeable low-molecular-weight nitrosothiol and nitric oxide donor.	2.01	1	0	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
disilver oxide [no description available]	2.06	1	0
b 428 4-iodine-benzo(b)thiophene-2-carboxamidine: structure in first source	2.02	1	0
pd 154075 PD 154075: a non-peptide tachykinin NK1 receptor antagonist; structure given in first source	3.09	1	0
sr 142801 SR 142801: SR 142806 is the (R)-enantiomer; structure given in first source; neurokinin-3 receptor antagonist	1.98	1	0
dolastatin 10 dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784. dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization.	2.15	1	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
5'-amino-5'-deoxyadenosine [no description available]	2.08	1	0
bb-78485 BB-78485: structure in first source	2.1	1	0
rosavin rosavin: isolated from Rhodiola rosea; structure in first source	2.21	1	0	O-acyl carbohydrate
metaflumizone metaflumizone: an insecticide	2.05	1	0	semicarbazone; stilbenoid
ipamorelin [no description available]	2	1	0
ro 28-2653 Ro 28-2653: a synthetic matrix metalloproteinase inhibitor reduces tumor growth and prolongs survival in a prostate cancer standard rat model	2.42	2	0
sincalide Sincalide: An octapeptide hormone present in the intestine and brain. When secreted from the gastric mucosa, it stimulates the release of bile from the gallbladder and digestive enzymes from the pancreas.	4.22	18	0	oligopeptide
avibactam avibactam : A member of the class of azabicycloalkanes that is (2S,5R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide in which the amino hydrogen at position 6 is replaced by a sulfooxy group. Used (in the form of its sodium salt) in combination with ceftazidime pentahydrate for the treatment of complicated urinary tract infections including pyelonephritis.	2.11	1	0	azabicycloalkane; hydroxylamine O-sulfonic acid; monocarboxylic acid amide; ureas	antibacterial drug; antimicrobial agent; EC 3.5.2.6 (beta-lactamase) inhibitor
etomoxir [no description available]	1.98	1	0	aromatic ether
sb 297006 SB 297006: a CC chemokine receptor-3 antagonist that inhibits binding of eotaxin and monocyte chemotactic protein-4 to eosinophils; structure in first source	2.96	4	0
upamostat [no description available]	2.08	1	0
sr 146131 SR 146131: a cholecystokinin subtype 1 receptor agonist; structure in first source	2.01	1	0
pentagastrin Pentagastrin: A synthetic pentapeptide that has effects like gastrin when given parenterally. It stimulates the secretion of gastric acid, pepsin, and intrinsic factor, and has been used as a diagnostic aid.	4.95	9	1	organic molecular entity
flag peptide FLAG peptide: engineered as a tag for immunoaffinity purification of genetically-engineered proteins; amino acid sequence given in first source; a polar octapeptide. FLAG peptide : An eight amino acid peptide consisting of L-aspartic acid, L-tyrosine, L-lysine, four L-aspartic acid residues, and L-lysine joined in sequence by peptide linkages. It is widely used as a fusion tag for the purification and detection of a wide variety of recombinant proteins.	2.08	1	0	peptide
cgs 35066 CGS 35066: an endothelin-converting enzyme-1 inhibitor; structure in first source	4.03	4	0
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	5.01	39	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
ajm300 AJM300: an alpha4 integrin antagonist	9.58	10	4
s 4048 S 4048: structure in first source	2.01	1	0
lipid a Lipid A: Lipid A is the biologically active component of lipopolysaccharides. It shows strong endotoxic activity and exhibits immunogenic properties.. lipid A : The glycolipid moiety of bacterial lipopolysaccharide (R can be either hydrogen or a fatty acyl group).	2.76	3	0	dodecanoate ester; lipid A; tetradecanoate ester	Escherichia coli metabolite
sb 3ct compound SB 3CT compound: a matrix metalloproteinase-2 inhibitor; structure in first source	2.03	1	0	aromatic ether
bts 67582 [no description available]	3.1	1	0
dapagliflozin [no description available]	2.6	1	0	aromatic ether; C-glycosyl compound; monochlorobenzenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
hmr 1556 HMR 1556: an I(Ks) channel blocker; structure in first source	2.03	1	0
thymic humoral factor gamma 2 thymic humoral factor gamma 2: synthetic octapeptide thymic hormone which repairs immunodeficiency of mice cured of plasmacytoma by melphalan	2.39	2	0
shu 9119 SHU 9119: an agouti mimetic; structure in first source	2	1	0
ro 31-9790 Ro 31-9790: hydroxamic acid derivative	2.4	2	0
ic 87114 IC 87114: structure in first source	2.06	1	0	6-aminopurines; biaryl; quinazolines	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
tr 14035 N-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine: TR-14035 is the (L)-isomer; an antagonist of both alpha4beta1 and beta7 integrins; structure in first source	4.74	9	0
n-((2s)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-l-leucyl-n,3- dimethyl-l-valinamide N-((2S)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-L-leucyl-N,3- dimethyl-L-Valinamide: matrix metalloproteinase inhibitor	4.31	3	0
pd 140548 [no description available]	3.09	1	0
nb 506 NB 506: an indolocarbazole antitumor agent; structure given in first source; a DNA topoisomerase I inhibitor	2	1	0
secoisolariciresinol diglucoside secoisolariciresinol diglucoside: major precursor of mammalian lignans; structure given in first source; RN given refers to B-D-GLUCO isomer	2	1	0
ginsenoside rg3 ginsenoside Rg3: from Red ginseng; inhibits lung metastasis of tumor cells; structure given in first source. (20S)-ginsenoside Rg3 : A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucopyranosyl-beta-D-glucopyranoside, and in which a double bond has been introduced at the 24-25 position.	2.41	1	0	ginsenoside; glycoside; tetracyclic triterpenoid	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite
norcodeine norcodeine: RN given refers to (5 alpha,6 alpha)-isomer. norcodeine : A morphinane-like compound that is the N-demethylated derivative of codeine.	2.1	1	0	morphinane alkaloid
tofacitinib tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.	3.23	1	0	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
l 706000 L 706000: a spirobenzopyran piperidine; structure given in first source	2.42	2	0
melflufen melflufen: structure in first source	11.96	28	6
viridiofungin a viridiofungin A: inhibits serine palmitoyltransferase; isolated from Trichoderma viride; structure in first source	2.4	2	0
jte 607 JTE 607: a multiple cytolkine inhibitor	5.31	12	1	hydrochloride	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug
samarium sphingomyelin 16:0 : A sphingomyelin in which the total number of carbons contained in the sphingoid base and fatty acyl groups is 16 with zero double bonds.. sphingomyelin d18:1/16:0 : A sphingomyelin d18:1 in which the fatty acyl group contains 16 carbons and is fully saturated.. N-hexadecanoylsphingosine-1-phosphocholine : A sphingomyelin 34:1 in which the N-acyl group and sphingoid base are specified as hexadecanoyl and sphingosine respectively.	2	1	0	sphingomyelin d18:1/16:0	mouse metabolite
pasireotide pasireotide : A six-membered homodetic cyclic peptide composed from L-phenylglycyl, D-tryptophyl, L-lysyl, O-benzyl-L-tyrosyl, L-phenylalanyl and modified L-hydroxyproline residues joined in sequence. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used (as its diaspartate salt) for treatment of Cushing's disease.	3.48	1	1	homodetic cyclic peptide; peptide hormone	antineoplastic agent
zeolites [no description available]	7.99	4	0
pitolisant pitolisant: functions as both inverse agonist and antagonist of histamine H3 receptors; structure in first source	5.72	6	0	organochlorine compound
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride [no description available]	2.1	1	0
tetramethylrhodamine tetramethylrhodamine: RN given refers to perchlorate; structure	2.05	1	0	xanthene dye
2-iodophenyl-(1-(1-methylpiperidin-2-ylmethyl)-1h-indol-3-yl)methanone 2-iodophenyl-(1-(1-methylpiperidin-2-ylmethyl)-1H-indol-3-yl)methanone: a CB1 cannabinoid receptor radioligand; structure in first source	2.03	1	0
ubiquinol ubiquinol: reduced forms of ubiquinone; see also record for ubiquinol 10. ubiquinol-10 : A ubiquinol in which the polyprenyl substituent is decaprenyl.	2.03	1	0	polyprenylhydroquinone; ubiquinol	biomarker; metabolite
g(m1) ganglioside G(M1) Ganglioside: A specific monosialoganglioside that accumulates abnormally within the nervous system due to a deficiency of GM1-b-galactosidase, resulting in GM1 gangliosidosis.. ganglioside GM1 : A sialotetraosylceramide consisting of a branched pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage.	2.02	1	0	alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide
vortioxetine Vortioxetine: A piperazine derivative that acts as a serotonin reuptake inhibitor, as a 5-HT3 receptor antagonist, and 5-HT1A receptor agonist. It is used for the treatment of anxiety and depression.. vortioxetine : An N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder.	2.79	3	0	aryl sulfide; N-arylpiperazine	antidepressant; anxiolytic drug; serotonergic agonist; serotonergic antagonist
aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories.	2.02	1	0
cgp 20712a CGP 20712A: structure given in first source; CGP 26505, a beta1-selective beta-adrenoceptor antagonist, is the (S)-isomer of CGP 20712A	2.03	1	0
kb r8301 [no description available]	2.03	1	0
deltorphin i, ala(2)- deltorphin I, Ala(2)-: isolated from skin extracts of frogs belonging to the genus Phyllomedusa; has affinity to opioid receptors	2.91	4	0	peptide
methionine sulfoxide methionine sulfoxide: RN given refers to cpd without isomeric designation. L-methionine (R)-S-oxide : The (R)-oxido diastereomer of L-methionine S-oxide.	2.44	2	0	amino acid zwitterion; L-methionine S-oxide	Escherichia coli metabolite
pimavanserin pimavanserin: A 5-HT(2A) inverse agonist; ACP-103 is the dihydroxybutanedioate (2:1) salt. It is used to treat hallucinations and delusions associated with PARKINSON DISEASE; structure in first source.. pimavanserin : A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease.	2.15	1	0	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist
candicidin Candicidin: Mixture of antifungal heptaene macrolides from Streptomyces griseus or Actinomyces levoris used topically in candidiasis. The antibiotic complex is composed of candicidins A, B, C, and D, of which D is the major component.. candicidin D : A 38-membered ring lactone containing seven (E)-double bonds between positions 22 and 35 and substituted by hydroxy groups at positions 9, 11, 13, 17 and 19, oxo groups at positions 3, 7 and 15, a carboxy group at position 18, a 3-amino-3,6-dideoxymannopyranosyloxy group at position 21, a methyl group at position 36 and a 7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl group at position 37. It is the major component of candicidin, a mixture of antifungal heptaene macrolides obtained from a strain of Streptomyces griseus.. candicidin : A mixture of the antifungal heptaene macrolides obtained from a strain of Streptomyces griseus. It is composed of candicidins A, B, C and D, with candicidin D being the major component. Candicidin is active against some fungi of the genus Candida, and has been used in the treatment of vaginal candidiasis.	2.36	2	0	macrolide antibiotic; polyene antibiotic	antifungal drug; bacterial metabolite
18f-faza fluoroazomycin arabinoside: used for hypoxia-specific imaging; structure in first source	3.21	1	0
linagliptin Linagliptin: A purine and quinazoline derivative that functions as an INCRETIN and DIPEPTIDYL-PEPTIDASE IV INHIBTOR. It is used as a HYPOGLYCEMIC AGENT in the treatment of TYPE II DIABETES MELLITUS.. linagliptin : A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.	2.15	1	0	aminopiperidine; quinazolines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent
fmrfamide FMRFamide: A molluscan neuroactive peptide which induces a fast excitatory depolarizing response due to direct activation of amiloride-sensitive SODIUM CHANNELS. (From Nature 1995; 378(6558): 730-3)	7.4	2	0
cystathionine Cystathionine: Sulfur-containing amino acid formed as an intermediate in the conversion of METHIONINE to CYSTEINE.. cystathionine : A modified amino acid generated by enzymic means from homocysteine and serine.	7.08	11	1	cysteine derivative
pazopanib pazopanib: a protein kinase inhibitor. pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.	2.08	1	0	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
odanacatib odanacatib: a selective inhibitor of cathepsin K for the treatment of post-menopausal osteoporosis; structure in first source	3.17	1	0
dimethylarginine dimethylarginine: structure in first source. dimethylarginine : An arginine derivative that is arginine substituted by two methyl groups. A "closed" class.	4.14	3	1
nps r-467 NPS R-467: calcimimetic compound; structure given in first source	7.42	2	0
2-(2-imidazolin-2-yl)-1-phenyl-1h-indole 2-(2-imidazolin-2-yl)-1-phenyl-1H-indole: an imidazoline compound; structure given in first source	1.99	1	0
ar c155858 AR C155858: an MCT1 inhibitor; structure in first source	2.05	1	0
homocarnosine homocarnosine: RN given refers to parent cpd. homocarnosine : A histidine derivative that is histidine in which one of the hydrogens attached to the alpha-amino group has been replaced by a 4-aminobutanoyl group.	2.4	2	0	dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid	human metabolite
decanoylcarnitine decanoylcarnitine: therapeutic agent for diabetic acidosis; RN given refers to cpd without isomeric designation. O-decanoylcarnitine : An O-acylcarnitine compound having decanoyl as the acyl substituent.	2.1	1	0	decanoate ester; O-acylcarnitine	human urinary metabolite
alpha-synuclein alpha-Synuclein: A synuclein that is a major component of LEWY BODIES and plays a role in SYNUCLEINOPATHIES, neurodegeneration and neuroprotection.	3.39	6	0
gm 1489 GM 1489: matrix metalloproteinase inhibitor; structure in first source	2.21	1	0
eledoisin Eledoisin: A peptide extracted from the posterior salivary glands of certain small octopi (Eledone spp., Mollusca), or obtained by synthesis. Its actions resemble those of SUBSTANCE P; it is a potent vasodilator and increases capillary permeability. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1364)	2.4	2	0	peptide
ccx282-b CCX282-B: antagonist of CCR9 chemokine receptor	3.19	1	0
angiotensin amide Angiotensin Amide: The octapeptide amide of bovine angiotensin II used to increase blood pressure by vasoconstriction.	2.34	2	0	oligopeptide
beta-casomorphin 5 beta-casomorphin 5: see also related record for beta-casomorphins	1.98	1	0
sb 328437 SB 328437: a CC chemokine receptor-3 antagonist that inhibits binding of eotaxin and monocyte chemotactic protein-4 to eosinophils; structure in first source	3.56	8	0
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	5.83	6	0
digalactosyldiacylglycerol digalactosyldiacylglycerol: two Galactoses bound to diacylglycerol; the mono Gal MGDG is also available; constitutes 20% of plant chloroplast lipids; see also 1,2-distearoyldigalactosyldiglyceride	2.01	1	0
vl-0395 VL-0395: structure in first source	2.43	2	0
bis(pyridine)iodonium(i) tetrafluoroborate bis(pyridine)iodonium(I) tetrafluoroborate: an iodinating reagent for peptides	2.04	1	0
ucn 1028 c calphostin C: structure given in first source; isolated from Cladosporium cladosporioides	2.42	2	0
laxogenin laxogenin: structure in first source	2.41	1	0
ribose ribopyranose : The pyranose form of ribose.	9.49	24	0	D-ribose; ribopyranose
5-formylcytosine 5-formylcytosine: structure in first source. 5-formylcytosine : A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a formyl group.	2.21	1	0	aminopyrimidine; heteroarenecarbaldehyde; nucleobase analogue; pyrimidone	metabolite
acebutolol alpha-D-glucosyl-(1->4)-alpha-D-mannose : An alpha-D-glucosyl-(1->4)-D-mannopyranose in which the anomeric hydroxy group has alpha configuration.	4.98	15	0	alpha-D-glucosyl-(1->4)-D-mannopyranose
tafamidis tafamidis: may be effective in treating transthyretin amyloid polyneuropathy. tafamidis : A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole-6-carboxylic acid in which the hydrogen at position 2 is replaced by a 3,5-dichlorophenyl group. Used (as its meglumine salt) for the amelioration of transthyretin-related hereditary amyloidosis.	2.25	1	0	1,3-benzoxazoles; dichlorobenzene; monocarboxylic acid	central nervous system drug
lactulose Lactulose: A synthetic disaccharide used in the treatment of constipation and hepatic encephalopathy. It has also been used in the diagnosis of gastrointestinal disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p887). lactulose : A synthetic galactosylfructose disaccharide used in the treatment of constipation and hepatic encephalopathy.	2.6	1	0
1-amino-3-phenylpropylphosphonic acid 1-amino-3-phenylpropylphosphonic acid: inhibits L-phenylalanine ammonia-lyase activity of higher plants	6.98	1	0
4-(1-phenylethyl)resorcinol 4-(1-phenylethyl)resorcinol: a depigmenting agent for treatment of solar lentigines; structure in first source	2.06	1	0
4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-3-yl)phenol 4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-3-yl)phenol: a selective estrogen receptor modulator	2.52	2	0	pyrazoles; ring assembly
abt-737 [no description available]	2.41	1	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
phenylnitrene [no description available]	2.74	3	0
eluxadoline [no description available]	16.34	75	14	amino acid amide; benzamides; imidazoles; L-phenylalanine derivative; methoxybenzoic acid	delta-opioid receptor antagonist; gastrointestinal drug; kappa-opioid receptor agonist; mu-opioid receptor agonist
nystatin a1 Nystatin: Macrolide antifungal antibiotic complex produced by Streptomyces noursei, S. aureus, and other Streptomyces species. The biologically active components of the complex are nystatin A1, A2, and A3.. nystatin : A heterogeneous mixture of polyene compounds produced by cultures of Streptomyces noursei. It mainly consists of three biologically active components designated nystatin A1, nystatin A2, and nystatin A3. It is used to treat oral and dermal fungal infections.. nystatin A1 : A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.	2.13	1	0	nystatins
dictyostatin dictyostatin: a macrocyclic compound; structure in first source	2.02	1	0
potassium cyanate potassium cyanate: RN given refers to cpd with MF of K-CHNO	3.06	1	0	cyanate salt; one-carbon compound	herbicide
cgs 35601 CGS 35601: a single molecule triple vasopeptidase inhibitor; structure in first source	2.02	1	0
aclidinium bromide aclidinium bromide: a long-acting, inhaled antimuscarinic; in phase I trial 8/2008. aclidinium bromide : A quaternary ammonium salt that is the bromide salt of aclidinium. A muscarinic acetylcholine M3 receptor antagonist, for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD).	2.21	1	0	organic bromide salt; quaternary ammonium salt	bronchodilator agent; muscarinic antagonist
bimosiamose disodium bimosiamose disodium: selectin inhibitor; structure in first source	3.12	1	0
ibodutant 6-methylbenzo(b)thiophene-2-carboxylic acid (1-(2-phenyl-((1-(tetrahydropyran-4-ylmethyl)piperidin-4-ylmethyl)carbamoyl)ethylcarbamoyl)cyclophenyl)amide: a tachykinin NK2 receptor antagonist; structure in first source	3.25	1	0
monomethyl auristatin e [no description available]	2.03	1	0
1,4,7,10-tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane 1,4,7,10-tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane: structure in first source	2.44	2	0
sitagliptin phosphate Sitagliptin Phosphate: A pyrazine-derived DIPEPTIDYL-PEPTIDASE IV INHIBITOR and HYPOGLYCEMIC AGENT that increases the levels of the INCRETIN hormones GLUCAGON-LIKE PEPTIDE-1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP). It is used in the treatment of TYPE 2 DIABETES.	5.48	4	1
veratridine Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal.	2.37	2	0
prolyl-proline Pro-Pro : A dipeptide formed from two L-proline residues.	2.07	1	0	dipeptide	human urinary metabolite; Mycoplasma genitalium metabolite
cefdinir Cefdinir: A third-generation oral cephalosporin antibacterial agent that is used to treat bacterial infections of the respiratory tract and skin.. cefdinir : A cephalosporin compound having 7beta-2-(2-amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino- and 3-vinyl side groups.	8.42	1	1
glyoxamide glyoxamide : The simplest of the class of glyoxamides, with no substitution on nitrogen.	2.04	1	0	glyoxamides
moiramide b moiramide B: an anti-infective agent that inhibits bacterial acetyl-CoA carboxylase; structure in first source	2.04	1	0	organonitrogen compound; organooxygen compound
losartan potassium Erythropoietin: Glycoprotein hormone, secreted chiefly by the KIDNEY in the adult and the LIVER in the FETUS, that acts on erythroid stem cells of the BONE MARROW to stimulate proliferation and differentiation.	3.69	10	0
octanoylcarnitine octanoylcarnitine: RN given refers to cpd without isomeric designation. O-octanoyl-L-carnitine : The L-enantiomer of an O-octanoylcarnitine.	2.49	2	0	O-octanoylcarnitine; saturated fatty acyl-L-carnitine	human metabolite
palmitoylcarnitine Palmitoylcarnitine: A long-chain fatty acid ester of carnitine which facilitates the transfer of long-chain fatty acids from cytoplasm into mitochondria during the oxidation of fatty acids.. O-palmitoyl-L-carnitine : An O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl).	2.53	2	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
bacteriochlorophylls Bacteriochlorophyll A: A specific bacteriochlorophyll that is similar in structure to chlorophyll a.. bacteriochlorophyll : Chlorophylls of photosynthetic bacteria.	2.05	1	0	bacteriochlorophyll; methyl ester
calcimycin Calcimycin: An ionophorous, polyether antibiotic from Streptomyces chartreusensis. It binds and transports CALCIUM and other divalent cations across membranes and uncouples oxidative phosphorylation while inhibiting ATPase of rat liver mitochondria. The substance is used mostly as a biochemical tool to study the role of divalent cations in various biological systems.	3.06	5	0	benzoxazole
ferryl iron [no description available]	2.04	1	0
sar 1118 lifitegrast: An LFA-1 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN-1) antagonist that is used in the treatment of DRY EYE SYNDROMES.. lifitegrast : An N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome).	14.2	39	11	1-benzofurans; isoquinolines; L-phenylalanine derivative; N-acyl-L-alpha-amino acid; sulfone	anti-inflammatory drug; lymphocyte function-associated antigen-1 antagonist
sepharose agarose : A linear polysaccharide made up from alternating D-galactose and 3,6-anhydro-alpha-L-galactopyranose residues joined by alpha-(1->3)- and beta-(1->4)-linkages.	4.22	18	0
indocyanine green Indocyanine Green: A tricarbocyanine dye that is used diagnostically in liver function tests and to determine blood volume and cardiac output.	5.38	7	0	1,1-diunsubstituted alkanesulfonate; benzoindole; cyanine dye
scopolamine hydrobromide [no description available]	3.46	8	0
pituitrin Pituitrin: A substance or extract from the neurohypophysis (PITUITARY GLAND, POSTERIOR).	9.2	63	1
podophyllin Podophyllin: Caustic extract from the roots of Podophyllum peltatum and P. emodi. It contains PODOPHYLLOTOXIN and its congeners and is very irritating to mucous membranes and skin. Podophyllin is a violent purgative that may cause CNS damage and teratogenesis. It is used as a paint for warts, skin neoplasms, and senile keratoses.	2.01	1	0
virginiamycin Virginiamycin: A cyclic polypeptide antibiotic complex from Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others. It consists of 2 major components, VIRGINIAMYCIN FACTOR M1 and virginiamycin Factor S1. It is used to treat infections with gram-positive organisms and as a growth promoter in cattle, swine, and poultry.. virginiamycin : A mixture of cyclic polypeptide streptogramin antibiotics produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others. The two major components are virginiamycin M1 (also known as pristinamycin IIA) and virginiamycin S1. Virginiamycin has been widely used as a growth promotion agent in livestock and has been to have bacteriostatic activity against Gram-positive organisms such as staphylococci and streptococci.	2.4	2	0
cyclohexylalanine cyclohexylalanine: RN given refers to cpd without isomeric designation	4.73	29	0
tubulysin d tubulysin D: structure in first source	2.44	2	0	carboxylic acid; diester
resorcinarene resorcinarene: structure in first source	9.02	140	0
jadomycin a jadomycin A: the aglycone of jadomycin B; structure in first source. jadomycin A : A organic heteropentacyclic compound that is 1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridine which carries oxo groups at positions 2, 8 and 13, methyl group at position 5, hydroxy groups at positions 7 and 12, and a (2R)-butan-2-yl group at position 1. It is a mixture of epimers at the hemiaminal carbon (position 3a).	2.11	1	0
phytosterols Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.	2.41	1	0
cyclopenin cyclopenin: Penicillium metabolite; structure	2.39	2	0
enerbol Life: The state that distinguishes organisms from inorganic matter, manifested by growth, metabolism, reproduction, and adaptation. It includes the course of existence, the sum of experiences, the mode of existing, or the fact of being. Over the centuries inquiries into the nature of life have crossed the boundaries from philosophy to biology, forensic medicine, anthropology, etc., in creative as well as scientific literature. (Random House Unabridged Dictionary, 2d ed; Dr. James H. Cassedy, NLM History of Medicine Division)	2.34	2	0
rifamycins [no description available]	7.62	13	0
clove Madagascar: One of the Indian Ocean Islands off the southeast coast of Africa. Its capital is Antananarivo. It was formerly called the Malagasy Republic. Discovered by the Portuguese in 1500, its history has been tied predominantly to the French, becoming a French protectorate in 1882, a French colony in 1896, and a territory within the French union in 1946. The Malagasy Republic was established in the French Community in 1958 but it achieved independence in 1960. Its name was changed to Madagascar in 1975. (From Webster's New Geographical Dictionary, 1988, p714)	2.05	1	0
acid phosphatase Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2.	5.57	29	0
gonadotropin-releasing hormone [no description available]	2.1	1	0
quinocarcin quinocarcin: from Streptomyces melanovinaceus nov.sp.; structure given in second source	2.04	1	0
ammonium citrate [no description available]	2.02	1	0	ammonium salt; citrate salt	buffer; food emulsifier
maltoheptaose maltoheptaose: consists of seven glucose residues in a linear 1,4-alpha-linkage; substrate for determining alpha-amylase in serum; RN given refers to (D-glucopyranose)-isomer. maltoheptaose : A maltoheptaose heptasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form.. alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp : A maltoheptaose heptasaccharide consisting of six alpha-D-glucose residues and a D-glucose residue joined in sequence by (1->4) glycosidic bonds.	2.71	3	0	maltoheptaose heptasaccharide
ascamycin ascamycin: from a Streptomyces species; structure given in first source	1.96	1	0
felypressin Felypressin: A synthetic analog of LYPRESSIN with a PHENYLALANINE substitution at residue 2. Felypressin is a vasoconstrictor with reduced antidiuretic activity.. felypressin : A synthetic nonapeptide comprising cysteinyl, phenylalanyl, phenylalanyl, glutaminyl, asparaginyl, cysteinyl, prolyl, lysyl, and glycinamide residues in sequence, with a disulfide bridge joining the two cysteine residues. Its antidiuretic effects are less than those of vasopressin. It is used as a vasoconstrictor in local anaesthetic injections for dental use, and is an ingredient of preparations that have been used for treatment of pain and inflammation of the mouth.	3.64	10	0	heterodetic cyclic peptide	vasoconstrictor agent; vasopressin receptor agonist
angiotensin ii, sar(1)-me-tyr(4)- angiotensin II, Sar(1)-Me-Tyr(4)-: angiotensin II antagonist	1.97	1	0
icatibant icatibant: a potent bradykinin (B2) receptor antagonist; WIN 65365 is an L-Tic(7) stereoisomer. icatibant : A ten-membered synthetic oligopeptide consisting of D-Arg, Arg, Pro, Hyp, Gly, Thi, Ser, D-Tic, Oic, and Arg residues joined in sequrence. A bradykinin receptor antagonist used as its acetate salt for the treatment of acute attacks of hereditary angioedema in adult patients.	3.62	3	0
jaw [no description available]	2.38	2	0	indolecarboxamide
2-aminoindan-2-phosphonic acid 2-aminoindan-2-phosphonic acid: inhibits salicylic acid synthesis	7.72	3	0
tosedostat [no description available]	2.96	1	0	carboxylic ester; hydroxamic acid; secondary carboxamide
agatharesinol agatharesinol: structure in first source. agatharesinol : A major heartwood norlignan characterised by a core trans-3-p-hydroxyphenyl-1-phenylpropene structural unit.	2.03	1	0	norlignan
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	7.37	89	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
desmosine Desmosine: A rare amino acid found in elastin, formed by condensation of four molecules of lysine into a pyridinium ring.	2.36	2	0	aromatic amino acid
cytochrome c-t Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV.	4.5	23	0
cosyntropin Cosyntropin: A synthetic peptide that is identical to the 24-amino acid segment at the N-terminal of ADRENOCORTICOTROPIC HORMONE. ACTH (1-24), a segment similar in all species, contains the biological activity that stimulates production of CORTICOSTEROIDS in the ADRENAL CORTEX.. cosyntropin : A synthetic peptide that is identical to the 24-amino acid segment at the N-terminal of adrenocorticotropic hormone (corticotropin). A segment similar in all species, it contains the biological activity that stimulates production of corticosteroids in the adrenal cortex. It is used diagnostically to investigate adrenocortical insufficiency.	1.95	1	0
melitten Melitten: Basic polypeptide from the venom of the honey bee (Apis mellifera). It contains 26 amino acids, has cytolytic properties, causes contracture of muscle, releases histamine, and disrupts surface tension, probably due to lysis of cell and mitochondrial membranes.	3.09	5	0
tyrocidine Tyrocidine: An antibiotic mixture produced by Bacillus brevis which may be separated into three components, tyrocidines A, B, and C. It is the major constituent (40-60 per cent) of tyrothricin, gramicidin accounting for the remaining 10-20 per cent active material. It is a topical antimicrobial agent, that is very toxic parenterally.. tyrocidine A : A homodetic cyclic decapeptide consisting of D-Phe, L-Pro, L-Phe, D-Phe, L-Asn, L-Gln, L-Tyr, L-Val, L-Orn, and L-Leu residues coupled in sequence and cyclised head-to-tail.. tyrocidine : A mixtue of homodetic cyclic decapeptides produced by the soil bacterium Bacillus brevis.	2.86	4	0	homodetic cyclic peptide; macrocycle; peptide antibiotic	antibacterial agent; bacterial metabolite
cholecystokinin Cholecystokinin: A peptide, of about 33 amino acids, secreted by the upper INTESTINAL MUCOSA and also found in the central nervous system. It causes gallbladder contraction, release of pancreatic exocrine (or digestive) enzymes, and affects other gastrointestinal functions. Cholecystokinin may be the mediator of satiety.	12.01	74	5
ceruletide Ceruletide: A specific decapeptide obtained from the skin of Hila caerulea, an Australian amphibian. Caerulein is similar in action and composition to CHOLECYSTOKININ. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction.. ceruletide : A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction.	3.57	9	0	oligopeptide	diagnostic agent; gastrointestinal drug
motilin Motilin: A peptide of about 22-amino acids isolated from the DUODENUM. At low pH it inhibits gastric motor activity, whereas at high pH it has a stimulating effect.	1.95	1	0
dynorphins Dynorphins: A class of opioid peptides including dynorphin A, dynorphin B, and smaller fragments of these peptides. Dynorphins prefer kappa-opioid receptors (RECEPTORS, OPIOID, KAPPA) and have been shown to play a role as central nervous system transmitters.	2.94	4	0
atrial natriuretic factor Atrial Natriuretic Factor: A potent natriuretic and vasodilatory peptide or mixture of different-sized low molecular weight PEPTIDES derived from a common precursor and secreted mainly by the HEART ATRIUM. All these peptides share a sequence of about 20 AMINO ACIDS.	6.02	27	1	polypeptide
tachyplesin peptide, tachypleus tridentatus tachyplesin peptide, Tachypleus tridentatus: isolated from the hemocytes of the horseshoe crab (Tachypleus tridentatus); cationic peptide; 17 amino acid residues given in first source	1.99	1	0
magainin 2 peptide, xenopus magainin 2 peptide, Xenopus: from skin of Xenopus laevis; 23-amino acid sequence given in first source; differs from magainin 1 by substitution of Lys instead of Gly at position 10 & Asn instead of Lys at position 22; also used to prevent development of malarial oocysts in mosquito vector; Z-12 is magainin 2 with Lys and Phe residues replaced with their respective D-isomers; homologue of the Xenopus laevis cement; GenBank AF004262 (mouse), AF007791, AF038451-2 (human)	2.71	3	0
enfuvirtide Enfuvirtide: A synthetic 36-amino acid peptide that corresponds to the heptad repeat sequence of HIV-1 gp41. It blocks HIV cell fusion and viral entry and is used with other anti-retrovirals for combination therapy of HIV INFECTIONS and AIDS.. enfuvirtide : A synthetic 36-amino acid peptide consisting of N-acetyltyrosyl, threonyl, seryl, leucyl, isoleucyl, histidyl, seryl, leucyl, isoleucyl, alpha-glutamyl, alpha-glutamyl, seryl, glutaminyl, asparaginyl, glutaminyl, glutaminyl, alpha-glutamyl, lysyl, asparaginyl, alpha-glutamyl, alpha-glutamyl, alpha-glutamyl, leucyl, leucyl, alpha-glutamyl, leucyl, alpha-aspartyl, lysyl, tryptophyl, alanyl, seryl, leucyl, tryptophyl, asparaginyl, tryptophyl, and phenylalaninamide residues joined in sequence. An HIV fusion inhibitor, it was the first of a novel class of antiretroviral drugs used in combination therapy for the treatment of HIV-1 infection. It interferes with entry of HIV into cells by binding to the gp41 sub-unit of the viral envelope glycoprotein, so inhibiting fusion of viral and cellular membranes.	2	1	0
t140 peptide T140 peptide: a strong anti-hiv agent; amino acid sequence in first source	2.46	2	0
bmap-27 BMAP-27: C-terminal domain of a cathelicidin, a myeloid antimicrobial peptide precursor; BMAP-27 stands for bovine myeloid antimicrobial peptide of 27 residues; amino acid sequence in first source; GenBank X97608	7.05	1	0
cys(11)-cys(15)-endothelin-1 (11-21) Cys(11)-Cys(15)-endothelin-1 (11-21): antagonist of endothelin B receptor	1.99	1	0
amyloid beta-protein (17-42) amyloid beta-protein (17-42): a component of diffuse amyloid deposits isolated from brains of patients with Alzheimer's disease; amino acid sequence given in first source	2.15	1	0
hevein hevein: 43-amino acid residue protein from the rubber tree; homology with thionins and WHEAT GERM AGGLUTININS; not strictly a lectin since it does not act as an agglutinin but has the hevein motif characteristic of lectins;	2	1	0
nociceptin [no description available]	3.12	5	0	organic molecular entity; polypeptide	human metabolite; rat metabolite
protegrin-1 protegrin-1: GenBank X84094	2.02	1	0
alamethicin Alamethicin: A cyclic nonadecapeptide antibiotic that can act as an ionophore and is produced by strains of Trichoderma viride. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	2.88	4	0
cholera toxin, b subunit (50-64) [no description available]	1.97	1	0
fibrinopeptide b Fibrinopeptide B: Two small peptide chains removed from the N-terminal segment of the beta chains of fibrinogen by the action of thrombin. Each peptide chain contains 20 amino acid residues. The removal of fibrinopeptides B is not required for coagulation.	6.99	1	0
2-(trimethylsilyl)ethyl o-(2,3-di-o-benzylxylopyranosyl)(1-4)-o-(2,3-di-o-benzoylxylopyranosyl)-(1-4)-o-(2,3-di-o-benzylxylopyranosyl)-(1-4)-2,3-di-o-benzoylxylopyranoside 2-(trimethylsilyl)ethyl O-(2,3-di-O-benzylxylopyranosyl)(1-4)-O-(2,3-di-O-benzoylxylopyranosyl)-(1-4)-O-(2,3-di-O-benzylxylopyranosyl)-(1-4)-2,3-di-O-benzoylxylopyranoside: structure given in first source	2.31	1	0
gastrins Gastrins: A family of gastrointestinal peptide hormones that excite the secretion of GASTRIC JUICE. They may also occur in the central nervous system where they are presumed to be neurotransmitters.	8.37	22	2
erabutoxin b erabutoxin b: RN given refers to erabutoxin b	1.97	1	0
suzukacillin suzukacillin: isolated from Trichoderma viride; RN given refers to cpd with unknown MF	1.96	1	0
gramicidin a Gramicidin: A group of peptide antibiotics from BACILLUS brevis. Gramicidin C or S is a cyclic, ten-amino acid polypeptide and gramicidins A, B, D are linear. Gramicidin is one of the two principal components of TYROTHRICIN.	10.08	44	0
cobrotoxin Cobra Neurotoxin Proteins: Toxins, contained in cobra (Naja) venom that block cholinergic receptors; two specific proteins have been described, the small (short, Type I) and the large (long, Type II) which also exist in other Elapid venoms.	2	1	0
glucagon Glucagon: A 29-amino acid pancreatic peptide derived from proglucagon which is also the precursor of intestinal GLUCAGON-LIKE PEPTIDES. Glucagon is secreted by PANCREATIC ALPHA CELLS and plays an important role in regulation of BLOOD GLUCOSE concentration, ketone metabolism, and several other biochemical and physiological processes. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1511). glucagon : A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence.	11.84	94	11	peptide hormone
actinoidins actinoidins: belongs to vancomycin antibiotic group; RN given refers to actinoidin	1.95	1	0
big gastrin big gastrin: isolated from Zollinger-Ellison syndrome gastrinomas & hog antral mucosa; have encountered tetratricontapeptide & nonadecapeptide gastrin; big-big gastrin significantly higher in patients with duodenal ulcers; big gastrin refers gastrin which has a longer peptide chain than the normal heptadecapeptide gastrin	2.02	1	0
beta-endorphin beta-Endorphin: A 31-amino acid peptide that is the C-terminal fragment of BETA-LIPOTROPIN. It acts on OPIOID RECEPTORS and is an analgesic. Its first four amino acids at the N-terminal are identical to the tetrapeptide sequence of METHIONINE ENKEPHALIN and LEUCINE ENKEPHALIN.. beta-endorphin : A polypeptide consisting of 31 amino acid residues in the sequence Tyr-Gly-Gly-Phe-Met-Thr-Ser-Glu-Lys-Ser-Gln-Thr-Pro-Leu-Val-Thr-Leu-Phe-Lys-Asn-Ala-Ile-Ile-Lys-Asn-Ala-Tyr-Lys-Lys-Gly-Glu. It is an endogenous opioid peptide neurotransmitter found in the neurons of both the central and peripheral nervous system and results from processing of the precursor protein proopiomelanocortin (POMC).	8.76	11	0
emerimicins Peptaibols: A group of peptides characterized by length of 1-2 dozen residues with a high proportion of them being non-proteinogenic, notably alpha-aminoisobutyric acid (Aib) and isovaline, and have a C-terminal amino alcohol and N terminal alkyl group. They are found in FUNGI and some are ANTI-INFECTIVE AGENTS. They form channels or pores in target organisms. The term is a contraction of peptide-Aib-alcohol.	2.52	2	0
thymosin beta(4) thymosin beta(4): biological active peptide present in thymosin fractions 5 & 5A; participates in the regulation, differentiation & function of thymus-derived lymphocytes & may also act directly or indirectly on macrophages & other cells involved in cell-mediated immunity	2.17	1	0
ceca1 protein, drosophila [no description available]	2.03	1	0
neuropeptide y Neuropeptide Y: A 36-amino acid peptide present in many organs and in many sympathetic noradrenergic neurons. It has vasoconstrictor and natriuretic activity and regulates local blood flow, glandular secretion, and smooth muscle activity. The peptide also stimulates feeding and drinking behavior and influences secretion of pituitary hormones.	2.92	4	0
paracelsin paracelsin: peptide antibiotic from Trichoderma reesei Simmons	1.96	1	0
sboa protein, bacillus subtilis sboA protein, Bacillus subtilis: 35-amino acid cyclic peptide with three cysteine bridges from Bacillus subtilis 168; peptide from Bacillus amyloliquefaciens is idential to that from B. subtilis; has bacteriocidal activity against some Gram-positive bacteria such as Listeria, some species of Bacillus and E.faecium; GenBank AJ430547	2.72	3	0
s6c sarafotoxin sarafotoxins s6: several isotoxins from Atractaspis engaddensis; has strong cardiotoxic activity; all contain 21 amino acid residues; see also endothelium-derived vasoconstrictor factor	2	1	0
iberiotoxin [no description available]	2.41	2	0
angiotensinogen Angiotensinogen: An alpha-globulin of about 453 amino acids, depending on the species. It is produced by the liver in response to lowered blood pressure and secreted into blood circulation. Angiotensinogen is the inactive precursor of the ANGIOTENSINS produced in the body by successive enzyme cleavages. Cleavage of angiotensinogen by RENIN yields the decapeptide ANGIOTENSIN I. Further cleavage of angiotensin I (by ANGIOTENSIN CONVERTING ENZYME) yields the potent vasoconstrictor octapeptide ANGIOTENSIN II; and then, via other enzymes, other angiotensins also involved in the hemodynamic-regulating RENIN-ANGIOTENSIN SYSTEM.	7.67	3	0
cucurbit(8)uril cucurbit(8)uril: a macrocyclic polymer compound comprising 8 GLYCOLURIL units with methylene bridges	3.22	5	0
tannins Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing.	3.46	2	0
oligonucleotides [no description available]	11.78	82	0
anticodon Anticodon: The sequential set of three nucleotides in TRANSFER RNA that interacts with its complement in MESSENGER RNA, the CODON, during translation in the ribosome.	6.66	72	0
liraglutide [no description available]	3.48	1	1	lipopeptide; polypeptide	glucagon-like peptide-1 receptor agonist; neuroprotective agent
glucagon-like peptide 1 Glucagon-Like Peptide 1: A peptide of 36 or 37 amino acids that is derived from PROGLUCAGON and mainly produced by the INTESTINAL L CELLS. GLP-1(1-37 or 1-36) is further N-terminally truncated resulting in GLP-1(7-37) or GLP-1-(7-36) which can be amidated. These GLP-1 peptides are known to enhance glucose-dependent INSULIN release, suppress GLUCAGON release and gastric emptying, lower BLOOD GLUCOSE, and reduce food intake.	12.86	15	5
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ILys-prolyl-alaninamide: FE-200486 is the acetate salt	2	1	0	polypeptide
incretins Incretins: Peptides which stimulate INSULIN release from the PANCREATIC BETA CELLS following oral nutrient ingestion, or postprandially.	3.04	4	0
apidaecin ib apidaecin: isolated from lymph fluid of honeybee; amino acid sequence given in first source; not antibiotic, since it does not come from microorganism	2.11	1	0
msh, 4-nle-7-phe-alpha- [no description available]	2	1	0	polypeptide	dermatologic drug
c-peptide C-Peptide: The middle segment of proinsulin that is between the N-terminal B-chain and the C-terminal A-chain. It is a pancreatic peptide of about 31 residues, depending on the species. Upon proteolytic cleavage of proinsulin, equimolar INSULIN and C-peptide are released. C-peptide immunoassay has been used to assess pancreatic beta cell function in diabetic patients with circulating insulin antibodies or exogenous insulin. Half-life of C-peptide is 30 min, almost 8 times that of insulin.	7.68	20	9
natriuretic peptide, c-type Natriuretic Peptide, C-Type: A PEPTIDE of 22 amino acids, derived mainly from cells of VASCULAR ENDOTHELIUM. It is also found in the BRAIN, major endocrine glands, and other tissues. It shares structural homology with ATRIAL NATRIURETIC FACTOR. It has vasorelaxant activity thus is important in the regulation of vascular tone and blood flow. Several high molecular weight forms containing the 22 amino acids have been identified.	2.03	1	0
ge 2270 a GE 2270 A: from Planobispora rosea; inhibits bacterial protein synthesis in vitro by affecting specifically the GTP-bound form of elongation factor Tu; structure given in first source	2.04	1	0
exendin (9-39) exendin (9-39): a peptide from the venom of the lizard Heloderma suspectum; inhibits glucagon-like peptide-1 (GLP-1) induced cAMP production; its structure is related to exendin-4	2.03	1	0
ristocetin Ristocetin: An antibiotic mixture of two components, A and B, obtained from Nocardia lurida (or the same substance produced by any other means). It is no longer used clinically because of its toxicity. It causes platelet agglutination and blood coagulation and is used to assay those functions in vitro.. ristocetin : A heterodetic cyclic peptide that is produced by species of Amycolatopsis and Nocardia.	2.39	2	0	glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative	antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	5.54	71	0	glycoside
endothelin-1 Endothelin-1: A 21-amino acid peptide produced in a variety of tissues including endothelial and vascular smooth-muscle cells, neurons and astrocytes in the central nervous system, and endometrial cells. It acts as a modulator of vasomotor tone, cell proliferation, and hormone production. (N Eng J Med 1995;333(6):356-63)	4.4	21	0
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	6.48	43	0	1,2-diacyl-sn-glycero-3-phosphocholine
(9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Beclomethasone: An anti-inflammatory, synthetic glucocorticoid. It is used topically as an anti-inflammatory agent and in aerosol form for the treatment of ASTHMA.. beclomethasone : A 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively.	2.13	1	0	21-hydroxy steroid
n-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproyl sphingosine N-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproyl sphingosine: fluorescent ceramide analog; structure given in first source. N-{6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}sphingosine : An N-acylsphingosine that is sphingosine with the amino nitrogen converted into a 6-{[N-(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]}hexananamido group.	2.31	1	0	N-acylsphingosine	fluorescent probe
vx-770 ivacaftor: a CFTR potentiator; structure in first source. ivacaftor : An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis.	3.04	3	0	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.	5.27	17	0	chlorophyll; methyl ester	cofactor
lumacaftor lumacaftor: a corrector of CF transmembrane conductance regulator (CTFR); structure in first source. lumacaftor : An aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis.	3.31	5	0	aromatic amide; benzodioxoles; benzoic acids; cyclopropanes; organofluorine compound; pyridines	CFTR potentiator; orphan drug
phenylmercuric acetate Phenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide.	3.32	2	0	arylmercury compound; benzenes
4-aminophenylmercuriacetate 4-aminophenylmercuriacetate: covalently linked to agarose for purification of FAD & COA with chromatography	3.32	2	0
vendex Torque: The rotational force about an axis that is equal to the product of a force times the distance from the axis where the force is applied.	2.54	2	0	organotin acaricide
fedratinib fedratinib: a selective small-molecule inhibitor of JAK2	2.04	1	0	sulfonamide
sodium salicylate [no description available]	2.02	1	0	organic molecular entity
sphingosine kinase [no description available]	2	1	0
ubiquinone Ubiquinone: A lipid-soluble benzoquinone which is involved in ELECTRON TRANSPORT in mitochondrial preparations. The compound occurs in the majority of aerobic organisms, from bacteria to higher plants and animals.	7.91	26	1
pinoresinol pinoresinol: in plants; a furo[3,4-c]furan created from dimer of coniferyl alcohol. pinoresinol : A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl groups.	7.21	1	0
calpain Calpain: Cysteine proteinase found in many tissues. Hydrolyzes a variety of endogenous proteins including NEUROPEPTIDES; CYTOSKELETAL PROTEINS; proteins from SMOOTH MUSCLE; CARDIAC MUSCLE; liver; platelets; and erythrocytes. Two subclasses having high and low calcium sensitivity are known. Removes Z-discs and M-lines from myofibrils. Activates phosphorylase kinase and cyclic nucleotide-independent protein kinase. This enzyme was formerly listed as EC 3.4.22.4.	4.65	6	1
arphamenine a arphamenine A: from Chromobacterium violaceum; structure given in second source	1.96	1	0
lucifer yellow lucifer yellow: RN given refers to di-Li salt	2.05	1	0	organic lithium salt	fluorochrome
4-borono-2-fluorophenylalanine 4-borono-2-fluorophenylalanine: used as a target cpd for boron neutron capture therapy; RN given refers to (DL)-isomer 18F-labeled cpd; RN for unlabeled cpd without isomeric designation not avail 3/92	8.07	29	1
antamanide antamanide: cyclic decapeptides otained from the green death cup toadstool (Amanita phalloides). Acts as an antidote against poisoning by phallotoxins by preventing accumulation & absorption of the toxin in the liver; minor descriptor (75-86); on-line & INDEX MEDICUS search PEPTIDES, CYCLIC (75-86)	1.98	1	0
cathestatin b cathestatin B: isolated from Penicillium citrinum; structure in first source. cathestatin B : A carboxamide obtained by the formal condensation of the carboxylic group of oxirane-2,3-dicarboxylic acid with the amino group of N-(4-aminobutyl)-L-tyrosinamide (the 2S,3S stereoisomer). An antibiotic isolated from the fermentation broth of Penicillium citrinum, it acts as a potent inhibitor of cysteine protease.	2.39	2	0	dicarboxylic acid monoamide; epoxide; monocarboxylic acid; phenols; primary amino compound	antimicrobial agent; cysteine protease inhibitor; Penicillium metabolite
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one 5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one: a homoisoflavone with antiangiogenesis activity. cremastranone : A homoisoflavonoid that is 2,3-dihydro-4H-chromen-4-onethat is substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 6, and a 3-hydroxy-4-methoxybenzyl group at position 3. It has been isolated from various plants, including the bulb of Cremastra appendiculata.	2.13	1	0	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite
triazacyclononane triazacyclononane: structure in first source	2.1	1	0
chitosan [no description available]	9.13	14	0
9-(tetrahydro-2-furyl)-adenine [no description available]	1.97	1	0
s-(2-carboxyethyl)cysteine [no description available]	2.42	2	0
butaclamol Butaclamol: A benzocycloheptapyridoisoquinolinol that has been used as an antipsychotic, especially in schizophrenia.	1.99	1	0
bucladesine Bucladesine: A cyclic nucleotide derivative that mimics the action of endogenous CYCLIC AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant. (From Merck Index, 11th ed). bucladesine : A 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP.	3.56	9	0	3',5'-cyclic purine nucleotide
osteum [no description available]	3.07	5	0	organic molecular entity
sodium hypochlorite Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach.	1.95	1	0	inorganic sodium salt	bleaching agent; disinfectant
sodium bisulfite sodium bisulfite: has been used externally for parasitic skin diseases and as gastrointestinal antiseptic; structure. sodium hydrogensulfite : An inorganic sodium salt having hydrogensulfite as the counterion.	2.01	1	0	inorganic sodium salt; sulfite salt	allergen; food antioxidant; food colour retention agent; mutagen; reducing agent
sodium lactate Sodium Lactate: The sodium salt of racemic or inactive lactic acid. It is a hygroscopic agent used intravenously as a systemic and urinary alkalizer.. sodium lactate : An organic sodium salt having lactate as the counterion.	2.21	1	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
4-hydroxymercuribenzoate [no description available]	2.68	3	0
raltegravir potassium Raltegravir Potassium: A pyrrolidinone derivative and HIV INTEGRASE INHIBITOR that is used in combination with other ANTI-HIV AGENTS for the treatment of HIV INFECTION.	2.25	1	0
stearates Stearates: Salts and esters of the 18-carbon saturated, monocarboxylic acid--stearic acid.	2.42	2	0
sodium iodate sodium iodate: RN given refers to iodic acid, Na salt	1.98	1	0	organic molecular entity
sodium glutamate Sodium Glutamate: One of the FLAVORING AGENTS used to impart a meat-like flavor.. monosodium glutamate : An organic sodium salt that is the monosodium salt of glutamic acid.	4.82	4	2	monosodium glutamate	flavouring agent
(2-sulfonatoethyl)methanethiosulfonate (2-sulfonatoethyl)methanethiosulfonate: RN given for Na salt	2	1	0
sodium pertechnetate tc 99m Sodium Pertechnetate Tc 99m: A gamma-emitting radionuclide imaging agent used for the diagnosis of diseases in many tissues, particularly in the gastrointestinal system, cardiovascular and cerebral circulation, brain, thyroid, and joints.	2.05	1	0
sodium ethylxanthate Sex: The totality of characteristics of reproductive structure, functions, PHENOTYPE, and GENOTYPE, differentiating the MALE from the FEMALE organism.	2.86	4	0
mersalyl Mersalyl: A toxic thiol mercury salt formerly used as a diuretic. It inhibits various biochemical functions, especially in mitochondria, and is used to study those functions.	1.95	1	0
chiniofon Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses.	1.94	1	0
syringolin a syringolin A: a cyclic dipeptide composed of the two non-proteinogenic amino acids. syringolin A : A syrbactin that has a (3E,9E)-2,7-dioxo-1,6-diazacyclododeca-3,9-diene skeleton that is substituted by an isopropyl group at position 5 and by a [(2S)-2-({[(1S)-1-carboxy-2-methylpropyl]carbamoyl}amino)-3-methylbutanoyl]nitrilo group at the 8-pro-S position. It is produced by the pathogenic bacterium Pseudomonas syringae pv. syringae.	2.08	1	0	dipeptide
thiostrepton Thiostrepton: One of the CYCLIC PEPTIDES from Streptomyces that is active against gram-positive bacteria. In veterinary medicine, it has been used in mastitis caused by gram-negative organisms and in dermatologic disorders.. thiostrepton : A heterodetic cyclic peptide, in which the cyclisation step involves a formal lactonisation between the carboxy group of a quinaldic acid-based residue and a secondary alcohol. An antibiotic that inhibits bacterial protein synthesis. Also acts as an antitumor agent.	2.35	2	0
hygromycin b [no description available]	1.97	1	0
picrotoxinin picrotoxinin: toxic component of PICROTOXIN; structure; noncompetitive antagonist of ionotropic GABA-A receptors. picrotoxinin : A picrotoxane sesquiterpenoid that is 3a,4,5,6,7,7a-hexahydro-1H-indene-3,7-dicarboxylic acid which is substituted at positions 3a, 6, and 7a by methyl, isopropenyl, and hydroxy groups, respectively; in which the double bond at position 2-3 has been epoxidised; and in which the carboxy groups at positions 3 and 7 have undergone gamma-lactone formation by O-alkylation to positions 4 and 5, respectively. A component of picrotoxin.	7.44	2	0
bacillamide c bacillamide C: a tryptamide thiazole metabolite from a Bacillus endophyticus isolated from a Bahamian hypersaline microbial mat; structure in first source	2.08	1	0
methyl jasmonate [no description available]	3.97	12	0
mitorubrinic acid [no description available]	2	1	0
s-adenosylmethionine (R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.	10.58	24	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
picrotoxin Picrotoxin: A noncompetitive antagonist at GABA-A receptors and thus a convulsant. Picrotoxin blocks the GAMMA-AMINOBUTYRIC ACID-activated chloride ionophore. Although it is most often used as a research tool, it has been used as a CNS stimulant and an antidote in poisoning by CNS depressants, especially the barbiturates.. picrotoxin : A mixture consisting of equimolar amounts of picrotoxinin and picrotin found in the climbing plant Anamirta cocculus.	8.11	5	0
2',3'-o-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate 2',3'-O-(2,4,6-trinitrophenyl)adenosine 5'-triphosphate: analog of ATP; do not confuse with TNP-ATP record	2.01	1	0	C-nitro compound; spiroketal	antagonist
suvorexant suvorexant: an orexin receptor antagonist; structure in first source. suvorexant : An aromatic amide obtained by formal condensation of the carboxy group of 5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid with the secondary amino group of 5-chloro-2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole. An orexin receptor antagonist used for the management of insomnia.	3.35	1	0	1,3-benzoxazoles; aromatic amide; diazepine; organochlorine compound; triazoles	central nervous system depressant; orexin receptor antagonist
pervanadate pervanadate: from a mixture of orthovanadate and hydrogen peroxide	2.91	4	0
egg white Egg White: The white of an egg, especially a chicken's egg, used in cooking. It contains albumin. (Random House Unabridged Dictionary, 2d ed)	11.14	12	1
telotristat telotristat: a tryptophan hydroxylase inhibitor	10.42	12	3	phenylalanine derivative
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available]	2.21	1	0	BODIPY compound
cardiovascular agents Cardiovascular Agents: Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume.	2.11	1	0
cetrorelix cetrorelix: LHRH antagonist. cetrorelix : A synthetic ten-membered oligopeptide comprising N-acetyl-3-(naphthalen-2-yl)-D-alanyl, 4-chloro-D-phenylalanyl, 3-(pyridin-3-yl)-D-alanyl, L-seryl, L-tyrosyl, N(5)-carbamoyl-D-ornithyl, L-leucyl, L-arginyl, L-prolyl, and D-alaninamide residues coupled in sequence. A gonadotrophin-releasing hormone (GnRH) antagonist, it is used for treatment of infertility and of hormone-sensitive cancers of the prostate and breast.	2.01	1	0	oligopeptide	antineoplastic agent; GnRH antagonist
neurotensin neurotensin, Tyr(11)-: RN given refers to parent cpd & (D)-isomer; RN for cpd without isomeric designation not avail 5/91	2.4	2	0	peptide hormone	human metabolite; mitogen; neurotransmitter; vulnerary
fibrinopeptide a Fibrinopeptide A: Two small peptide chains removed from the N-terminal segment of the alpha chains of fibrinogen by the action of thrombin during the blood coagulation process. Each peptide chain contains 18 amino acid residues. In vivo, fibrinopeptide A is used as a marker to determine the rate of conversion of fibrinogen to fibrin by thrombin.	7.69	3	0
apelin-13 peptide apelin-13 peptide: amino acid sequence in first source. apelin-13 : A 13 amino acid oligopeptide which is the ligand for the apelin receptor (also known as the APJ receptor). It exhibits hypotensive and neuroprotective effects, and may be a potential prognostic biomarker for acute ischemic stroke and multiple sclerosis.	2.47	2	0	oligopeptide	antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent
osteogenic growth peptide osteogenic growth peptide: circulating stimulator of osteoblastic activity; identical to the C-terminus of histone H4; see also osteogenin; amino acid sequence of 14 amino acids given in first source	2.53	2	0
corazonin protein, insect corazonin protein, insect: cardioactive peptide; isolated from a variety of insects	2.01	1	0
conotoxin gi conotoxin GI: highly toxic; from venom of marine snail Conus geographus; amino acid sequence given in first source	7.03	1	0
alloferon Alloferon: immunomodulator; active ingredient of the antiviral agent allokine-alpha	7.21	1	0
incb-018424 [no description available]	2.81	3	0	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
6-deoxy-5-ketofructose 1-phosphate 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate : A ketohexose monophosphate having keto groups at the 2- and 5-positions, hydroxy groups at the 3- and 4-positions and the phosphate group at the 6-position.	2.03	1	0	ketohexose monophosphate
lx1032 telotristat ethyl: used for treatment of carcinoid syndrome	13.58	29	10
nitrogenase Nitrogenase: An enzyme system that catalyzes the fixing of nitrogen in soil bacteria and blue-green algae (CYANOBACTERIA). EC 1.18.6.1.	7.69	3	0
pretyrosine pretyrosine: RN given refers to (1(S)-cis)-isomer; structure. L-arogenate(1-) : Conjugate base of L-arogenic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3.	4.34	20	0	dicarboxylic acid anion
peptones Peptones: Derived proteins or mixtures of cleavage products produced by the partial hydrolysis of a native protein either by an acid or by an enzyme. Peptones are readily soluble in water, and are not precipitable by heat, by alkalis, or by saturation with ammonium sulfate. (Dorland, 28th ed)	3.74	11	0
triiodothyronine, reverse Triiodothyronine, Reverse: A metabolite of THYROXINE, formed by the peripheral enzymatic monodeiodination of T4 at the 5 position of the inner ring of the iodothyronine nucleus.. 3,3',5'-triiodo-L-thyronine zwitterion : Zwitterionic form of 3,3',5'-triiodo-L-thyronine.	1.97	1	0	3,3',5'-triiodothyronine; amino acid zwitterion
cytochromes c1 Cytochromes c1: The 30-kDa membrane-bound c-type cytochrome protein of mitochondria that functions as an electron donor to CYTOCHROME C GROUP in the mitochondrial and bacterial RESPIRATORY CHAIN. (From Enzyme Nomenclature, 1992, p545)	2.41	2	0
glycolipids [no description available]	6.92	27	1
piperidines Piperidines: A family of hexahydropyridines.	15.2	113	9
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone ML-265: a small molecule activator of PKM2	2.41	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
bryostatin 1 bryostatin 1: a protein kinase C activator; macrocyclic lactone from marine Bryozoan Bugula neritina; RN given refers to (1S-(1R,3R,5Z,7S,8E,11R,12R(2E,4E),13E,15R,17S(S),21S,23S,25R))-isomer; structure given in first source; activates protein kinase c. bryostatin 1 : A member of the class of bryostatins that is (17E)-2-oxooxacyclohexacos-17-ene which is substituted by hydroxy groups at positions 4, 10, and 20; an acetoxy group at position 8; methyl groups at positions 9, 9, 18, and 19; 2-methoxy-2-oxoethylidene groups at positions 14 and 24; an (E,E)-octa-2,4-dienoyloxy group at position 21; and with oxygen bridges linking positions 6 to 10, 12 to 16, and 20 to 24. It is one of the most abundant member of the class of bryostatins.	2.01	1	0
(4-(n-hydroxyamino)-2r-isobutyl-3s-methylsuccinyl)-l-phenylglycine-n-methylamide KB R7785: structure in first source	2.01	1	0
thymosin Thymosin: Thymosin. A family of heat-stable, polypeptide hormones secreted by the thymus gland. Their biological activities include lymphocytopoiesis, restoration of immunological competence and enhancement of expression of T-cell characteristics and function. They have therapeutic potential in patients having primary or secondary immunodeficiency diseases, cancer or diseases related to aging.	2.17	1	0
interleukin-8 Interleukin-8: A member of the CXC chemokine family that plays a role in the regulation of the acute inflammatory response. It is secreted by variety of cell types and induces CHEMOTAXIS of NEUTROPHILS and other inflammatory cells.	5.03	12	0
sansalvamide a sansalvamide A: a cyclic depsipeptide; inhibits poxvirus topoisomerase; structure in first source	7.41	2	0
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline [no description available]	2.41	1	0	benzenes; sulfonamide
siponimod siponimod: S1P receptor modulator	2.21	1	0
grazoprevir grazoprevir: has antiviral activity; component of Zepatier. grazoprevir : An azamacrocyclic compound that is a hepatitis C protease inhibitor used in combination with elbasvir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.	3.25	1	0	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent
nitd008 NITD008: inhibits enterovirus 71	2.1	1	0
colistin Colistin: Cyclic polypeptide antibiotic from Bacillus colistinus. It is composed of Polymyxins E1 and E2 (or Colistins A, B, and C) which act as detergents on cell membranes. Colistin is less toxic than Polymyxin B, but otherwise similar; the methanesulfonate is used orally.. colistin : A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa.	1.95	1	0
tylosin [no description available]	2.47	2	0
sofosbuvir Sofosbuvir: A uridine monophosphate analog inhibitor of HEPATITIS C VIRUS (HCV) polymerase NS5B that is used as an ANTIVIRAL AGENT in the treatment of CHRONIC HEPATITIS C.. sofosbuvir : A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection.	3.25	1	0	isopropyl ester; L-alanyl ester; nucleotide conjugate; organofluorine compound; phosphoramidate ester	antiviral drug; hepatitis C protease inhibitor; prodrug
phenylserine phenylserine: structure in first source	3.18	6	0
exenatide Exenatide: A synthetic form of exendin-4, a 39-amino acid peptide isolated from the venom of the Gila monster lizard (Heloderma suspectum). Exenatide increases CYCLIC AMP levels in pancreatic acinar cells and acts as a GLUCAGON-LIKE PEPTIDE-1 RECEPTOR (GLP-1) agonist and incretin mimetic, enhancing insulin secretion in response to increased glucose levels; it also suppresses inappropriate glucagon secretion and slows gastric emptying. It is used an anti-diabetic and anti-obesity agent.	2.52	2	0
brevianamide a brevianamide A: metabolite of Penicillium viridicatum; structure	2.02	1	0
chymostatin [no description available]	2.03	1	0
fructose-1,6-diphosphate fructose-1,6-diphosphate: RN refers to (D)-isomer	3.08	5	0
calcipotriene calcipotriene: a topical dermatologic for the treatment of moderate plaque psoriasis; structure in first source. calcipotriol hydrate : A hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients.	2.96	1	0	hydrate	antipsoriatic
pf-3450074 PF-3450074: an anti-HIV agent that binds capsid protein; structure in first source	4.59	22	0
fluoroacetyl-coenzyme a fluoroacetyl-CoA : An acyl-CoA that results from the formal condensation of the thiol group of Co-A with the carboxylic acid group of fluoroacetic acid.	2.17	1	0	haloacyl-CoA
methylcellulose Methylcellulose: Methylester of cellulose. Methylcellulose is used as an emulsifying and suspending agent in cosmetics, pharmaceutics and the chemical industry. It is used therapeutically as a bulk laxative.	2.87	4	0
jujuboside a [no description available]	2.4	2	0	triterpenoid
1,2-dioleoyl-sn-glycero-3-phosphoglycerol 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol) : A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which both acyl groups are specified as oleoyl.	2.43	2	0	1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)
vasoactive intestinal peptide Vasoactive Intestinal Peptide: A highly basic, 28 amino acid neuropeptide released from intestinal mucosa. It has a wide range of biological actions affecting the cardiovascular, gastrointestinal, and respiratory systems and is neuroprotective. It binds special receptors (RECEPTORS, VASOACTIVE INTESTINAL PEPTIDE).	3.24	6	0
natriuretic peptide, brain Natriuretic Peptide, Brain: A PEPTIDE that is secreted by the BRAIN and the HEART ATRIA, stored mainly in cardiac ventricular MYOCARDIUM. It can cause NATRIURESIS; DIURESIS; VASODILATION; and inhibits secretion of RENIN and ALDOSTERONE. It improves heart function. It contains 32 AMINO ACIDS.	3.13	5	0	polypeptide
heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron.	5.82	91	0
lesinurad lesinurad: a uric acid reabsorption inhibitor. lesinurad : A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout.	3.65	2	0	aryl sulfide; cyclopropanes; monocarboxylic acid; naphthalenes; organobromine compound; triazoles	uricosuric drug
chondroitin Chondroitin: A mucopolysaccharide constituent of chondrin. (Grant & Hackh's Chemical Dictionary, 5th ed)	2.34	2	0
neuromedin b neuromedin B: decapeptide isolated from porcine spinal cord	2	1	0
glutarylcarnitine glutarylcarnitine: found in glutaric aciduria type 1	2.05	1	0	O-acylcarnitine
methylidene-imidazolone methylidene-imidazolone: structure in first source	2.02	1	0
stubomycin stubomycin: contains polyene amide group; from Streptomyces	2.58	2	0
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	8.94	59	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus.	2.01	1	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.	8.05	71	0
chlortetracycline Chlortetracycline: A TETRACYCLINE with a 7-chloro substitution.. chlortetracycline : A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens.	5.29	18	0
oxytetracycline, anhydrous Oxytetracycline: A TETRACYCLINE analog isolated from the actinomycete STREPTOMYCES RIMOSUS and used in a wide variety of clinical conditions.. oxytetracycline : A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae.	4.29	6	0
minocycline Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.. minocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.	2.68	3	0
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.	6.32	30	0	monohydroxybenzoate	plant metabolite
nedocromil 3,4-dihydroxybenzoate: structure in first source. 3,4-dihydroxybenzoate : A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions.	1.94	1	0	dihydroxybenzoate
dicumarol Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.	3.97	4	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
piroxicam [no description available]	3.29	6	0	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
acenocoumarol Acenocoumarol: A coumarin that is used as an anticoagulant. Its actions and uses are similar to those of WARFARIN. (From Martindale, The Extra Pharmacopoeia, 30th ed, p233). acenocoumarol : A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.	3.4	1	1	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
laquinimod [no description available]	3.25	1	0	aromatic amide
mobiflex tenoxicam : A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries.	2.03	1	0	heteroaryl hydroxy compound; monocarboxylic acid amide; pyridines; thienothiazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
isoxicam isoxicam : A monocarboxylic acid amide that is piroxicam in which the pyrid-2-yl group is replaced by a 5-methyl-1,2-oxazol-3-yl group. A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome.	2.05	1	0	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
4-epianhydrotetracycline 4-epianhydrotetracycline: impurity in pahrmaceutical preparations of tetracycline; RN refers to (4S-(4alpha,4aalpha,12aalpha))-isomer	1.95	1	0
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	12.89	61	1	benzenes; hydroxycoumarin; methyl ketone
metastat tetracycline CMT-3: a non-antimicrobial tetracycline; structure in second source	3.53	2	0
demeclocycline Demeclocycline: A TETRACYCLINE analog having a 7-chloro and a 6-methyl. Because it is excreted more slowly than tetracycline, it maintains effective blood levels for longer periods of time.. demeclocycline : Tetracycline which lacks the methyl substituent at position 7 and in which the hydrogen para- to the phenolic hydroxy group is substituted by chlorine. Like tetracycline, it is an antibiotic, but being excreted more slowly, effective blood levels are maintained for longer. It is used (mainly as the hydrochloride) for the treatment of Lyme disease, acne and bronchitis, as well as for hyponatraemia (low blood sodium concentration) due to the syndrome of inappropriate antidiuretic hormone (SIADH) where fluid restriction alone has been ineffective.	1.94	1	0
citrinin Citrinin: Antibiotic and mycotoxin from Aspergillus niveus and Penicillium citrinum.	7.36	2	0
6-hydroxywarfarin 6-hydroxywarfarin: metabolite of (R)-warfarin; RN given refers to parent cpd	2.04	1	0
7-hydroxywarfarin 7-hydroxywarfarin: a warfarin metabolite	7.04	1	0	hydroxycoumarin
antimycin [no description available]	1.97	1	0
rolitetracycline Rolitetracycline: A pyrrolidinylmethyl TETRACYCLINE.. rolitetracycline : A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group.	2.63	3	0
hispidin hispidin: metabolite of Basidiomycete Polyporus hispidus. hispidin : Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus).	1.95	1	0	2-pyranones; catechols	antioxidant; EC 2.7.11.13 (protein kinase C) inhibitor; fungal metabolite
2,4-dihydroxypyridine [no description available]	2.31	1	0	pyridone
omadacycline omadacycline: demonstrated in vitro activity against a broad range of Gram-positive and select Gram-negative pathogens; structure in first source	2.25	1	0	tetracyclines
8-hydroxywarfarin 8-hydroxywarfarin: metabolic marker for (S)-mephenytoin hydroxylase (P4502C19); structure in first source	7.04	1	0
tenellin tenellin: yellow pigments found in fungi of the genus Beauveria; structure	6.95	1	0
sambutoxin sambutoxin: produced by toxic Fusarium isolates, obtained from rotted potato tubers	2.31	1	0	terpene glycoside
dolutegravir [no description available]	2.21	1	0	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor
nickel nitrilotriacetic acid [no description available]	2.01	1	0
chromium tripicolinate chromium tripicolinate: chromium complex of tripicolinate; increases glucose uptake by skeletal muscle cultures	2.46	2	0	chromium coordination entity	anti-obesity agent; geroprotector; hypoglycemic agent; nutraceutical
betalains Betalains: Compounds derived from TYROSINE via betalamic acid, including BETAXANTHINS and BETACYANINS. They are found in the Caryophyllales order of PLANTS and some BASIDIOMYCETES.	3.91	3	0
omega-agatoxin iva omega-Agatoxin IVA: A neuropeptide toxin from the venom of the funnel web spider, Agelenopsis aperta. It inhibits CALCIUM CHANNELS, P-TYPE by altering the voltage-dependent gating so that very large depolarizations are needed for channel opening. It also inhibits CALCIUM CHANNELS, Q-TYPE.	1.99	1	0
epidermal growth factor Epidermal Growth Factor: A 6-kDa polypeptide growth factor initially discovered in mouse submaxillary glands. Human epidermal growth factor was originally isolated from urine based on its ability to inhibit gastric secretion and called urogastrone. Epidermal growth factor exerts a wide variety of biological effects including the promotion of proliferation and differentiation of mesenchymal and EPITHELIAL CELLS. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form.	4.57	25	0
d-4f peptide D-4F peptide: an apo A-I mimetic peptide synthesized from D-amino acids; may play a role in reducing inflammatory responses to influenza virus in mice; may also have anti-atherosclerotic properties	3.13	1	0
microcystin microcystin: microcystins have the general structure cyclo(D-Ala-L-X-D-erythro--methylisoasp-L-Y-Adda-D-isoGlu-N-methyldehydroAla) where X and Y are variable L-amino acids;. microcystin : A family of cyclic heptapeptide hepatotoxins produced by a number of cyanobacteria, the most notable of which is Microcystis, from which the name of the family is derived. Microcystins consist of a heptapeptide macrocycle made up of five non-protein amino acids and two protein amino acids.	2.6	1	0	peptide
gastrin-releasing peptide Gastrin-Releasing Peptide: Neuropeptide and gut hormone that helps regulate GASTRIC ACID secretion and motor function. Once released from nerves in the antrum of the STOMACH, the neuropeptide stimulates release of GASTRIN from the GASTRIN-SECRETING CELLS.	2.41	2	0
kaolinite Kaolin: The most common mineral of a group of hydrated aluminum silicates, approximately H2Al2Si2O8-H2O. It is prepared for pharmaceutical and medicinal purposes by levigating with water to remove sand, etc. (From Merck Index, 11th ed) The name is derived from Kao-ling (Chinese: high ridge), the original site. (From Grant & Hackh's Chemical Dictionary, 5th ed). kaolin : An aluminosilicate soft white mineral named after the hill in China (Kao-ling) from which it was mined for centuries. In its natural state kaolin is a white, soft powder consisting principally of the mineral kaolinite, and varying amounts of other minerals such as muscovite, quartz, feldspar, and anatase. It is used in the manufacture of china and porcelain and also widely used in the production of paper, rubber, paint, drying agents, and many other products.	2.87	4	0	aluminosilicate mineral; mixture	antidiarrhoeal drug; excipient
charybdotoxin [no description available]	2.4	2	0
transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.	3.97	13	0
phytoestrogens Phytoestrogens: Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.	2.41	1	0
myotoxin a [no description available]	1.97	1	0
naloxegol naloxegol: A peripherally acting opioid receptor antagonist specific for mu-opioid receptors. Used to decrease the constipating effects of opioids.. naloxegol : An organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation.	3.27	1	0	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist
okadaic acid Okadaic Acid: A specific inhibitor of phosphoserine/threonine protein phosphatase 1 and 2a. It is also a potent tumor promoter. It is produced by DINOFLAGELLATES and causes diarrhetic SHELLFISH POISONING.. okadaic acid : A polycyclic ether that is produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish. A polyketide, polyether derivative of a C38 fatty acid, it is one of the primary causes of diarrhetic shellfish poisoning (DSP). It is a potent inhibitor of specific protein phosphatases and is known to have a variety of negative effects on cells.	2.39	2	0	ketal
pyrethrins [no description available]	3.91	12	0
pf-543 PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first source	2.6	1	0	sulfonamide
globotriaosylceramide globotriaosylceramide: receptor for Shigella. alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide : A glycotriaosylceramide having alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl component attached to the primary hydroxy function of a ceramide with undefined sphingoid base.	1.99	1	0
gs-5816 velpatasvir: an NS5A inhibitor used for treating hepatitis C infections. velpatasvir : A complex organic heteropentacyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with sofosbuvir (under the brand name Epclusa) for treatment of patients with chronic hepatitis C of all six major genotypes.	3.25	1	0	carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor
plecanatide plecanatide: A uroguanylin analog and guanylate cyclase (GC-C receptor) agonist that activates receptors on gut epithelial cells to maintain barrier function, mucus production, and suppress inflammation. It is used in the treatment of chronic idiopathic constipation and other gastrointestinal disorders.	2.13	1	0
leiurotoxin i leiurotoxin I: 3.4kDa peptide from Leiurus quinquestriatus hebraeus venom; potent apamin binding inhibitor; amino acid sequence given in first source	2.06	1	0
lumacaftor, ivacaftor drug combination Orkambi : A two-drug mixture consisting of lumacaftor and ivacaftor, which is used for the treatment of cystic fibrosis.	2.61	2	0
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	4.3	20	0
mk-8742 elbasvir: inhibits NS5A protein of hepatitis C virus. elbasvir : A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults.	3.25	1	0	carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent
cobra cardiotoxin proteins Cobra Cardiotoxin Proteins: Most abundant proteins in COBRA venom; basic polypeptides of 57 to 62 amino acids with four disulfide bonds and a molecular weight of less than 7000; causes skeletal and cardiac muscle contraction, interferes with neuromuscular and ganglionic transmission, depolarizes nerve, muscle and blood cell membranes, thus causing hemolysis.	2.02	1	0
hirudin Hirudin: A 65-residue polypeptide from LEECHES.	3.59	9	0
glutaminase [no description available]	3.08	5	0
cyclin d1 Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.	2.96	4	0
caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones.	16.17	146	17
cellohexaose D-cellohexaose : A hexasaccharide consisting of five beta-D-glucopyranose residues and a D-glucopyranose residue joined in sequence by (1->4) glycosidic bonds.	2.08	1	0	glucohexaose
oligomycins Oligomycins: A closely related group of toxic substances elaborated by various strains of Streptomyces. They are 26-membered macrolides with lactone moieties and double bonds and inhibit various ATPases, causing uncoupling of phosphorylation from mitochondrial respiration. Used as tools in cytochemistry. Some specific oligomycins are RUTAMYCIN, peliomycin, and botrycidin (formerly venturicidin X).	4.44	7	0
calcium fructoborate calcium fructoborate: a boron-based nutritional supplement with antioxidant activity	2.25	1	0
phthalocyanine phthalocyanine : A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.	7.15	1	0	phthalocyanines; tetrapyrrole fundamental parent
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone: an interleukin-1beta converting enzyme (ICE)-like protease inhibitor	3.84	3	0
nitrophenols Nitrophenols: PHENOLS carrying nitro group substituents.	5.02	42	0
bassianolide bassianolide: cyclodepsipeptide from mycelia of Beauveria bassiana; inhibits isotonic contractions induced by acetylcholine. bassianolide : A cyclodepsipeptide consisting of a cyclic tetramer of the depsipeptide D-Hiv-N-methyl-L-leucine (where D-Hiv = D-alpha-hydroxyisovaleric acid). Found in the fungal species Beauveria bassiana and Verticillium lecanii, it has insecticidal properties and is used as a commercial biopesticide to control of insects of agricultural, veterinary and medical significance. For elucidation of the structure, see Suzuki et al., Tetrahedron Lett. 1977 v25, 2167-2170.	2.95	4	0	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide
carboxypeptidase b Carboxypeptidase B: A ZINC-dependent carboxypeptidase primary found in the DIGESTIVE SYSTEM. The enzyme catalyzes the preferential cleavage of a C-terminal peptidyl-L-lysine or arginine. It was formerly classified as EC 3.4.2.2 and EC 3.4.12.3.	7.69	3	0
calpastatin calpastatin: large mol wt, heat-stable calpain inhibitor; not based on sequestering Ca++ from medium, but binding to calpain does require Ca++. calpastatin peptide Ac 184-210 : A 27-membered polypeptide comprising the sequence Ac-Asp-Pro-Met-Ser-Ser-Thr-Tyr-Ile-Glu-Glu-Leu-Gly-Lys-Arg-Glu-Val-Thr-Ile-Pro-Pro-Lys-Tyr-Arg-Glu-Leu-Leu-Ala-NH2. An acetylated synthetic peptide from human calpastatin that strongly inhibits both calpains I and II but not papain (a cysteine protease) or trypsin (a serine protease).	1.98	1	0	polypeptide	EC 3.4.22.52 (calpain-1) inhibitor; EC 3.4.22.53 (calpain-2) inhibitor
angiotensin i Angiotensin I: A decapeptide that is cleaved from precursor angiotensinogen by RENIN. Angiotensin I has limited biological activity. It is converted to angiotensin II, a potent vasoconstrictor, after the removal of two amino acids at the C-terminal by ANGIOTENSIN CONVERTING ENZYME.. angiotensin I : A ten amino acid peptide formed by renin cleavage of angiotensinogen. Angiotensin I has no direct biological function except that high levels can stimulate catecholamine production. It is metabolized to its biologically active byproduct angiotensin II, a potent vasoconstrictor, by angiotensin converting enzyme (ACE) through cleavage of the two terminal amino acids.. angiotensin I dizwitterion : A peptide zwitterion that is the dizwitterionic form of angiotensin I having both carboxy groups deprotonated and the aspartyl amino group and arginine side-chain protonated. It is the major species at pH 7.3.	4.79	12	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
cobamamide cobamamide : A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12.	2.42	2	0
hyaluronoglucosaminidase Hyaluronoglucosaminidase: An enzyme that catalyzes the random hydrolysis of 1,4-linkages between N-acetyl-beta-D-glucosamine and D-glucuronate residues in hyaluronate. (From Enzyme Nomenclature, 1992) There has been use as ANTINEOPLASTIC AGENTS to limit NEOPLASM METASTASIS.	4.14	5	0
etamycin etamycin: antibiotic substance (macrolide lactone) produced by Streptomyces griseus & allied Streptomyces; active against gram-positive Mycobacterium tuberculosis & some fungi & other coccal infections; see also neoviridogriseins; structure	1.94	1	0
alpha-cobratoxin alpha-cobratoxin: fron Naja nigricollis	2	1	0
adrenomedullin Adrenomedullin: A 52-amino acid peptide with multi-functions. It was originally isolated from PHEOCHROMOCYTOMA and ADRENAL MEDULLA but is widely distributed throughout the body including lung and kidney tissues. Besides controlling fluid-electrolyte homeostasis, adrenomedullin is a potent vasodilator and can inhibit pituitary ACTH secretion.	1.99	1	0
amyloid beta-peptides amyloid beta-protein (1-28): binding of synthetic beta-amyloid peptide fragments to glycosaminoglycan is pH-dependent	2	1	0
13-hydroperoxylinoleic acid 13-hydroperoxylinoleic acid: inhibits glyoxalase II; RN given refers to (?,Z)-isomer	1.97	1	0	hydroperoxy polyunsaturated fatty acid
angiotensin iii Angiotensin III: A heptapeptide formed from ANGIOTENSIN II after the removal of an amino acid at the N-terminal by AMINOPEPTIDASE A. Angiotensin III has the same efficacy as ANGIOTENSIN II in promoting ALDOSTERONE secretion and modifying renal blood flow, but less vasopressor activity (about 40%).	2.9	4	0
deltakephalin deltakephalin: synthetic, potent specific agonist for opiate delta receptors	1.97	1	0
lipofectamine Lipofectamine: mediates gene transfer; a polycationic lipid reagent	7.6	1	0
harpagide harpagide: from S. African plant Harpagophytum procumbens DC	2.17	1	0
gliovirin gliovirin: from Gliocladium virens; structure given in first source	6.98	1	0
ginkgolide b [no description available]	2	1	0
gibberellins [no description available]	2.89	4	0
clavanin a clavanin A: histidine-rich, amidated, alpha-helical protein isolated from the hemocytes of Styela clava; amino acid sequence in first source	2.01	1	0
trichodermin Trichodermin: Antifungal metabolite from several fungi, mainly Trichoderma viride; inhibits protein synthesis by binding to ribosomes; proposed as antifungal and antineoplastic; used as tool in cellular biochemistry.. trichodermin : A tetracyclic spiroepoxide which acts as an antifungal and protein synthesis inhibitor.	1.95	1	0
aldrin Aldrin: A highly poisonous substance that was formerly used as an insecticide. The manufacture and use has been discontinued in the U.S. (From Merck Index, 11th ed). aldrin : An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant.	1.95	1	0
vitamin b 12 Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.	12.54	24	2
bb 1101 BB 1101: a matrix metalloproteinase-specific inhibitor	2.03	1	0
aconitine Aconitine: A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM; DELPHINIUM and larkspurs. It activates VOLTAGE-GATED SODIUM CHANNELS. It has been used to induce ARRHYTHMIAS in experimental animals and it has anti-inflammatory and anti-neuralgic properties.. aconitine : A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively.	2.03	1	0
insulin glargine Insulin Glargine: A recombinant LONG ACTING INSULIN and HYPOGLYCEMIC AGENT that is used to manage BLOOD GLUCOSE in patients with DIABETES MELLITUS.	5.59	3	2
ecallantide ecallantide: an NSAID and analgesic	2.01	1	0
insulin degludec [no description available]	2.15	1	0
norgestrel Norgestrel: A synthetic progestational agent with actions similar to those of PROGESTERONE. This racemic or (+-)-form has about half the potency of the levo form (LEVONORGESTREL). Norgestrel is used as a contraceptive, ovulation inhibitor, and for the control of menstrual disorders and endometriosis.	1.97	1	0
transforming growth factor alpha Transforming Growth Factor alpha: An EPIDERMAL GROWTH FACTOR related protein that is found in a variety of tissues including EPITHELIUM, and maternal DECIDUA. It is synthesized as a transmembrane protein which can be cleaved to release a soluble active form which binds to the EGF RECEPTOR.	2.93	4	0
lysergic acid lysergic acid : An ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position.	1.94	1	0
dodecaborate dodecaborate: RN given for disodium salt; structure in first source	4.81	2	1
cyclosporine Cyclosporine: A cyclic undecapeptide from an extract of soil fungi. It is a powerful immunosupressant with a specific action on T-lymphocytes. It is used for the prophylaxis of graft rejection in organ and tissue transplantation. (From Martindale, The Extra Pharmacopoeia, 30th ed).	7.78	16	1
blasticidin s blasticidin S: RN given refers to (S)-isomer; structure. blasticidin S : A blasticidin that is an antibiotic obtained from Streptomyces griseochromogene.	2.36	2	0
alpha1-purothionin protein, wheat purothionin: polypeptide of relatively low MW; toxic to vertebrates and some bacteria & yeasts; purothionin A-I is believed to be identical to beta-purothionin; RN given refers to cpd with unknown MF	1.97	1	0
flavin mononucleotide Flavin Mononucleotide: A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues.	2.88	4	0
cytochalasin d Cytochalasin D: A fungal metabolite that blocks cytoplasmic cleavage by blocking formation of contractile microfilament structures resulting in multinucleated cell formation, reversible inhibition of cell movement, and the induction of cellular extrusion. Additional reported effects include the inhibition of actin polymerization, DNA synthesis, sperm motility, glucose transport, thyroid secretion, and growth hormone release.. cytochalasin D : An organic heterotricyclic compound that is a mycotoxin produced by Helminthosporium and other moulds which is cell permeable and a potent inhibitor of actin polymerisation and DNA synthesis.	2.04	1	0
2-methylisoborneol 2-methylisoborneol: structure. 2-methylisoborneol : An bornane monoterpenoid comprising isoborneol carrying a 2-methyl substituent (the 1R,2R,4R-diastereomer).	2.11	1	0
peptide yy Peptide YY: A 36-amino acid peptide produced by the L cells of the distal small intestine and colon. Peptide YY inhibits gastric and pancreatic secretion.. peptide YY : A 36-membered human gut polypeptide consisting of Tyr, Pro, Ile, Lys, Pro, Glu, Ala, Pro, Gly, Glu, Asp, Ala, Ser, Pro, Glu, Glu, Leu, Asn, Arg, Tyr, Tyr, Ala, Ser, Leu, Arg, His, Tyr, Leu, Asn, Leu, Val, Thr, Arg, Gln, Arg and Tyr-NH2 residues joined in sequence.	5.06	3	1
lactoferrin Lactoferrin: An iron-binding protein that was originally characterized as a milk protein. It is widely distributed in secretory fluids and is found in the neutrophilic granules of LEUKOCYTES. The N-terminal part of lactoferrin possesses a serine protease which functions to inactivate the TYPE III SECRETION SYSTEM used by bacteria to export virulence proteins for host cell invasion.	3.76	2	1
cholecystokinin 39 cholecystokinin 39: contains 39 amino acids; 6 amino acid residues added on to cholecystokinin	1.97	1	0
digitonin Digitonin: A glycoside obtained from Digitalis purpurea; the aglycone is digitogenin which is bound to five sugars. Digitonin solubilizes lipids, especially in membranes and is used as a tool in cellular biochemistry, and reagent for precipitating cholesterol. It has no cardiac effects.. digitonin : A spirostanyl glycoside that is digitogenin in which the 3-hydroxy group is substituted by a beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl group. It is a steroidal saponin isolated from the foxglove plant, Digitalis purpurea. It is used extensively as a mild non-ionic detergent for extracting proteins from membranes for structure and function studies.	2.64	3	0
sparsomycin Sparsomycin: An antitumor antibiotic produced by Streptomyces sparsogenes. It inhibits protein synthesis in 70S and 80S ribosomal systems.	3.21	6	0
maleylacetone [no description available]	2.02	1	0
mercaptodextran [no description available]	1.96	1	0
orabase Orabase: used in therapy of oral mucosal ulcers	2.76	3	0
technetium tc-99m tetrofosmin [no description available]	2.05	1	0
apyrase Apyrase: A calcium-activated enzyme that catalyzes the hydrolysis of ATP to yield AMP and orthophosphate. It can also act on ADP and other nucleoside triphosphates and diphosphates. EC 3.6.1.5.	3.24	6	0
thromboplastin Thromboplastin: Constituent composed of protein and phospholipid that is widely distributed in many tissues. It serves as a cofactor with factor VIIa to activate factor X in the extrinsic pathway of blood coagulation.	2.69	3	0
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.	7.51	72	0
ribosomal protein l7-l12 [no description available]	2.41	2	0
cyclolinopeptide a cyclolinopeptide A: structure given in first source; cyclic nonapeptide; isolated from linseed oil	9.04	4	0
amyloid beta-peptides amyloid beta-protein (1-40): although acutely neurotoxic in both rat & monkey cerebral cortex, neuronal degeneration in primates resembles more closely to that found in Alzheimer's disease; amino acid sequence has been determined	4.16	15	0
chondroitin sulfates Chondroitin Sulfates: Derivatives of chondroitin which have a sulfate moiety esterified to the galactosamine moiety of chondroitin. Chondroitin sulfate A, or chondroitin 4-sulfate, and chondroitin sulfate C, or chondroitin 6-sulfate, have the sulfate esterified in the 4- and 6-positions, respectively. Chondroitin sulfate B (beta heparin; DERMATAN SULFATE) is a misnomer and this compound is not a true chondroitin sulfate.	2.88	4	0
somatostatin, trp(8)- [no description available]	2.02	1	0
exendin 3 exendin 3: from the gila monster lizard (Heloderma horridum); amino acid sequence given in first source	2.11	1	0
angiogenin angiogenin: human tumor protein which stimulates growth of blood vessels; contains 123 amino acids; member of the pancreatic ribonuclease superfamily; MW 14,400	2	1	0
acyclovir Acyclovir: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.. acyclovir : An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections.	2.4	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
levoleucovorin Levoleucovorin: A folate analog consisting of the pharmacologically active isomer of LEUCOVORIN.. (6S)-5-formyltetrahydrofolic acid : The pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid.	3.57	9	0	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
cyclic gmp Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). 3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine.	5.44	15	1	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
sepiapterin sepiapterin: A substrate of sepiapterin reductase	9.76	7	1	sepiapterin
deoxyguanosine [no description available]	8.64	9	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyguanosine triphosphate [no description available]	2.02	1	0	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
7,8-dihydroneopterin 7,8-dihydroneopterin: an antioxidant. 7,8-dihydroneopterin : A neopterin where positions C-7 and C-8 have been hydrogenated.	1.96	1	0	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydrofolate dihydrofolic acid : A folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division and is targeted by various drugs to prevent nucleic acid synthesis.	3.08	5	0	dihydrofolic acids	Escherichia coli metabolite; mouse metabolite
guanosine diphosphate Guanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety.	4.42	22	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanosine diphosphate mannose Guanosine Diphosphate Mannose: A nucleoside diphosphate sugar which can be converted to the deoxy sugar GDPfucose, which provides fucose for lipopolysaccharides of bacterial cell walls. Also acts as mannose donor for glycolipid synthesis.. GDP-D-mannose : A GDP-mannose in which the mannose fragment has D-configuration.. GDP-alpha-D-mannose : The alpha-anomer of GDP-D-mannose.	1.95	1	0	GDP-D-mannose	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
guanosine pentaphosphate Guanosine Pentaphosphate: Guanosine 5'-triphosphate 2'(3')-diphosphate. A guanine nucleotide containing five phosphate groups. Three phosphate groups are esterified to the sugar moiety in the 5' position and the other two in the 2' or 3' position. This nucleotide serves as a messenger to turn off the synthesis of ribosomal RNA when amino acids are not available for protein synthesis.. guanosine 3'-diphosphate 5'-triphosphate : A guanosine bisphosphate having a diphosphate at the 3'-position and a triphosphate at the 5'-position.	2.36	2	0	guanosine 5'-phosphate; guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
guanosine monophosphate Guanosine Monophosphate: A guanine nucleotide containing one phosphate group esterified to the sugar moiety and found widely in nature.. guanosine 5'-monophosphate : A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase.	2.4	2	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
guanosine triphosphate Guanosine Triphosphate: Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety.	13.55	209	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanine [no description available]	5.38	60	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanosine ribonucleoside : Any nucleoside where the sugar component is D-ribose.	4.26	19	0	guanosines; purines D-ribonucleoside	fundamental metabolite
guanosine tetraphosphate Guanosine Tetraphosphate: Guanosine 5'-diphosphate 2'(3')-diphosphate. A guanine nucleotide containing four phosphate groups. Two phosphate groups are esterified to the sugar moiety in the 5' position and the other two in the 2' or 3' position. This nucleotide serves as a messenger to turn off the synthesis of ribosomal RNA when amino acids are not available for protein synthesis. Synonym: magic spot I.. guanosine 3',5'-bis(diphosphate) : A guanosine bisphosphate having diphosphate groups at both the 3' and 5'-positions.	3.46	8	0	guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
hypoxanthine [no description available]	3.52	8	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
inosinic acid Inosine Monophosphate: Inosine 5'-Monophosphate. A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety.	2.52	2	0	inosine phosphate; purine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
inosine [no description available]	9.79	10	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inosine triphosphate Inosine Triphosphate: Inosine 5'-(tetrahydrogen triphosphate). An inosine nucleotide containing three phosphate groups esterified to the sugar moiety. Synonym: IRPPP.	2	1	0	inosine phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
sapropterin sapropterin: RN given refers to parent cpd; co-factor required for catalytic activity of nitric oxide synthases. (6R)-5,6,7,8-tetrahydrobiopterin : A 5,6,7,8-tetrahydrobiopterin in which the stereocentre at position 6 has R-configuration.. sapropterin : A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1'R,2'S-enantiomer).	20.18	355	32	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite
folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.	8.55	51	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
3-methyladenine N3-methyladenine: structure in first source	1.97	1	0
viomycin [no description available]	2.35	2	0	heterodetic cyclic peptide; peptide antibiotic	antitubercular agent
guanosine 5'-o-(3-thiotriphosphate) Guanosine 5'-O-(3-Thiotriphosphate): Guanosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid. A stable GTP analog which enjoys a variety of physiological actions such as stimulation of guanine nucleotide-binding proteins, phosphoinositide hydrolysis, cyclic AMP accumulation, and activation of specific proto-oncogenes.	3.7	10	0	nucleoside triphosphate analogue
7,8-dihydrobiopterin 7,8-dihydrobiopterin: RN given refers to (S-(R,S))-isomer. 7,8-dihydrobiopterin : A dihydropterin that is biopterin dihydrogenated at positions 7 and 8.. L-erythro-7,8-dihydrobiopterin : A 7,8-dihydrobiopterin in which the 1,2-dihydroxypropyl group has (1R,2S)-configuration; naturally occurring form.	6.02	22	0	7,8-dihydrobiopterin
dyspropterin dyspropterin: intermediate in biosynthetic pathway of tetrahydrobiopterin; structure given in first source. dyspropterin : A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one substituted by a 2-oxopropanoyl group at position 6.	2.89	4	0	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite
pheophytin a pheophytin a: structure given in first source; RN given refers to (3S-(3alpha(2E,7S,11S),4beta,21beta))-isomer	2.75	3	0
neopterin [no description available]	9.97	48	3
rifampin Rifampin: A semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1160)	7.17	36	1	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	2.1	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
dacarbazine (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.	3.48	1	1	dacarbazine
valacyclovir Valacyclovir: A prodrug of acyclovir that is used in the treatment of HERPES ZOSTER and HERPES SIMPLEX VIRUS INFECTION of the skin and mucous membranes, including GENITAL HERPES.	2.05	1	0	L-valyl ester	antiviral drug
olanzapine Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.. olanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.	2.1	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
salinazid [no description available]	2.15	1	0	aromatic carboxylic acid; pyridinemonocarboxylic acid
allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.	3.66	10	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
azaguanine Azaguanine: One of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids.. 8-azaguanine : A triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively.	6.31	20	0	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
guanylyl imidodiphosphate Guanylyl Imidodiphosphate: A non-hydrolyzable analog of GTP, in which the oxygen atom bridging the beta to the gamma phosphate is replaced by a nitrogen atom. It binds tightly to G-protein in the presence of Mg2+. The nucleotide is a potent stimulator of ADENYLYL CYCLASES.. guanosine 5'-[beta,gamma-imido]triphosphate : A nucleoside triphosphate analogue that is GTP in which the oxygen atom bridging the beta- to the gamma- phosphate is replaced by a nitrogen atom A non-hydrolyzable analog of GTP, it binds tightly to G-protein in the presence of Mg(2+).	2.88	4	0	nucleoside triphosphate analogue
xanthopterin [no description available]	3.05	5	0
2-amino-4-hydroxy-6,7-dimethyl-5,6,7,8-tetrahydropteridine 2-amino-4-hydroxy-6,7-dimethyl-5,6,7,8-tetrahydropteridine: used as a synthetic cofactor in place of tetrahydrofolate; RN given refers to parent cpd; structure	2.88	4	0	pterins
2,4-diaminohypoxanthine 2,4-diaminohypoxanthine: do not confuse abbreviation DAHP with various dehydro-deoxy-arabino-heptulosonic acid phosphates which also use DAHP; RN given refers to parent cpd; structure	2.9	4	0	hydroxypyrimidine
8-bromoguanine 8-bromoguanine: structure in first source	2.08	1	0
tegaserod tegaserod: a nonbenzamide 5-hydroxytryptamine(4) agonist; used in treatment of irritable bowel syndrome; marketing suspended 2007 in US due to higher incidence of MI, stroke, and unstable angina; structure given in first source	3.61	2	0	carboxamidine; guanidines; hydrazines; indoles	gastrointestinal drug; serotonergic agonist
norclozapine norclozapine: structure given in first source. N-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.	2.1	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
buciclovir buciclovir: structure given in first source	1.96	1	0
phthivazide [no description available]	2.15	1	0
tirapazamine Tirapazamine: A triazine derivative that introduces breaks into DNA strands in hypoxic cells, sensitizing tumor cells to the cytotoxic activity of other drugs and radiation.. tirapazamine : A member of the class of benzotriazines that is 1,2,4-benzotriazine carrying an amino substituent at position 3 and two oxido substituents at positions 1 and 4.	2.41	2	0	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer
5,6,7,8-tetrahydrofolic acid 5,6,7,8-tetrahydrofolic acid: RN given refers to (DL)-isomer	2.05	1	0	tetrahydrofolic acid
indolmycin indolmycin: produced by a strain of Streptomyces griseus; RN given refers to cpd without isomeric designation; structure. indolmycin : A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted at the 2 and 5-pro-S positions by methylamino and [(1R)-1-(1H-indol-3-yl)ethyl] groups, respectively.	2.05	1	0	1,3-oxazoles; indoles; secondary amino compound	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
tetrahydroneopterin [no description available]	2.38	2	0	biopterins
way 200070 WAY 200070: a neuroprotective agent; structure in first source	2.11	1	0
8-bromocyclic gmp 8-bromo-3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic GMP bearing an additional bromo substituent at position 8 on the guanine ring. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro.	2.37	2	0	3',5'-cyclic purine nucleotide; organobromine compound	muscle relaxant; protein kinase G agonist
8-hydroxyguanine 7,8-dihydro-8-oxoguanine: was substituted for guanine at G(8), G(9), G(14), or G(15) in the human telomeric oligonucleotide 5'-d[AGGGTTAG(8)G(9)GTT AG(14)G(15)GTTAGGGTGT]-3'. 7,8-dihydro-8-oxoguanine : An oxopurine that is guanine in which the hydrogen at position 8 is replaced by an oxo group and in which the nitrogens at positions 7 and 9 each bear a hydrogen.	2.72	3	0	oxopurine
methylnitronitrosoguanidine Methylnitronitrosoguanidine: A nitrosoguanidine derivative with potent mutagenic and carcinogenic properties.. N-methyl-N'-nitro-N-nitrosoguanidine : An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position	2.66	3	0	nitroso compound	alkylating agent
bis(3',5')-cyclic diguanylic acid [no description available]	2.48	2	0	cyclic purine dinucleotide; guanyl ribonucleotide	immunomodulator; signalling molecule
8-hydroxy-2'-deoxyguanosine 8-Hydroxy-2'-Deoxyguanosine: Common oxidized form of deoxyguanosine in which C-8 position of guanine base has a carbonyl group.. 8-hydroxy-2'-deoxyguanosine : Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.	2.94	4	0	guanosines	biomarker
6-methyltetrahydropterin [no description available]	4.41	8	0	pterins
coelenterazine coelenterazine: active group in AEQUORIN, a coelenterate luciferin. Oplophorus luciferin : An imidazopyrazine that is imidazo[1,2-a]pyrazin-3(7H)-one in which positions 2, 6, and 8 are substituted by 4-hydroxybenzyl, 4-hydroxyphenyl, and benzyl groups, respectively.	2.05	1	0
7-methylguanosine 7-methylguanosine : A positively charged methylguanosine in which a single methyl substituent is located at position 7.	2.38	2	0	methylguanosine; organic cation	metabolite
immucillin g immucillin G: structure in first source	2	1	0	dihydroxypyrrolidine; pyrrolopyrimidine
tetrahydropterin [no description available]	10.61	9	0
9-deazaguanine [no description available]	2.11	1	0
formycins Formycins: Pyrazolopyrimidine ribonucleosides isolated from Nocardia interforma. They are antineoplastic antibiotics with cytostatic properties.	2.66	3	0
mocimycin mocimycin: induces GTPase activity of EF-TU; N-demethyl analog of antibiotic X-5108; structure	3.06	5	0	C-glycosyl compound
aurodox Aurodox: Antibiotic obtained from a Streptomyces variant considered as possibly effective against Streptococcus pyogenes infections. It may promote growth in poultry.	1.97	1	0
2'(3')-o-(n-methyl)anthraniloylguanosine 5'-triphosphate 2'(3')-O-(N-methyl)anthraniloylguanosine 5'-triphosphate: structure given in first source. 3'-MANT-GTP : A purine ribonucleoside 5'-triphosphate that is GTP substituted at the 3' position by an N-methylanthraniloyl group.	1.99	1	0	purine ribonucleoside 5'-triphosphate	fluorescent probe
nucleoside q Nucleoside Q: A modified nucleoside which is present in the first position of the anticodon of tRNA-tyrosine, tRNA-histidine, tRNA-asparagine and tRNA-aspartic acid of many organisms. It is believed to play a role in the regulatory function of tRNA. Nucleoside Q can be further modified to nucleoside Q*, which has a mannose or galactose moiety linked to position 4 of its cyclopentenediol moiety.. queuosine : A nucleoside found in tRNA that has an additional cyclopentenyl ring added via an NH group to the methyl group of 7-methyl-7-deazaguanosine. The cyclopentenyl ring may carry other substituents.	2.39	2	0	7-deazaguanine ribonucleoside
7-methylguanosine-5'-monophosphate 7-methylguanosine 5'-phosphate(1-) : An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 7-methylguanosine 5'-phosphate; major species at pH 7.3.	7.66	3	0	organophosphate oxoanion
trimedoxime bromide Trimedoxime: Cholinesterase reactivator used as an antidote in alkyl phosphate poisoning.	1.99	1	0
2',3'-dideoxyguanosine 5'-triphosphate [no description available]	2	1	0
drosopterin drosopterin: eye pigments of Drosophila melanogaster; RN given refers to (trans)-(+-)-isomer; structure	1.94	1	0
primapterin primapterin: structure given in first source; RN given refers to cpd without isomeric designation. primapterin : A member of the class of biopterins that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 7 respectively.	8.07	5	0	biopterins	metabolite
molybdenum cofactor molybdenum cofactor: also see records for molybdopterin cytosine dinucleotide and molybdopterin guanine dinucleotide. MoO2-molybdopterin cofactor(2-) : An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of MoO2-molybdopterin cofactor.. MoO2-molybdopterin cofactor : An Mo-molybdopterin cofactor in which the coordinated molybdenum species is MoO2.	3.48	2	0	Mo-molybdopterin cofactor; organophosphate oxoanion
epsilon-n-crotonyllysine epsilon-N-crotonyllysine: a post-translationally modified amino acid; structure in first source	2.13	1	0
cholestyramine resin Cholestyramine Resin: A strongly basic anion exchange resin whose main constituent is polystyrene trimethylbenzylammonium Cl(-) anion.	2.58	2	0
l 161240 L 161240: structure in first source	2.03	1	0
eye [no description available]	8.74	11	0
fructooligosaccharide [no description available]	2.1	1	0	oligosaccharide
maltodextrin maltodextrin : A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds.	5.06	3	1
molybdopterin guanine dinucleotide molybdopterin guanine dinucleotide: structure given in first source	2.01	1	0
apelin-12 peptide apelin-12 peptide: amino acid sequence in first source	2.02	1	0	oligopeptide	biomarker; human blood serum metabolite; human metabolite; neuroprotective agent
carbidopa Carbidopa: An inhibitor of DOPA DECARBOXYLASE that prevents conversion of LEVODOPA to dopamine. It is used in PARKINSON DISEASE to reduce peripheral adverse effects of LEVODOPA. It has no anti-parkinson activity by itself.. carbidopa : The hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa.	11.11	17	2
amyloid beta-peptides [no description available]	2.08	1	0
enterocin enterocin: antibiotic isolated from Streptomyces candidus var. enterostaticus WS-8096 & Streptomyces viridochromogenes M-127; molecular formula: C22-H20-010; structure	2.42	2	0
concanavalin a Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures.	3.21	6	0
trypsinogen Trypsinogen: The inactive proenzyme of trypsin secreted by the pancreas, activated in the duodenum via cleavage by enteropeptidase. (Stedman, 25th ed)	3.46	8	0
gq1b ganglioside GQ1b ganglioside: ganglioside with nerve growth factor like activities in two neuroblastoma cell lines	1.99	1	0
metallothionein Metallothionein: A low-molecular-weight (approx. 10 kD) protein occurring in the cytoplasm of kidney cortex and liver. It is rich in cysteinyl residues and contains no aromatic amino acids. Metallothionein shows high affinity for bivalent heavy metals.	2.38	2	0
yo-pro 1 YO-PRO 1: a generally membrane impermeable fluorescent dye	2.11	1	0
dinitrobenzenes Dinitrobenzenes: Benzene derivatives which are substituted with two nitro groups in the ortho, meta or para positions.	3.08	5	0
biphenylylacetic acid biphenylylacetic acid: metabolite of BHD 7538; RN given refers to cpd with unspecified locants for acetic acid moities	2.1	1	0
phosphorus radioisotopes Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes.	5.26	54	0
octaarginine octaarginine: structure in first source	2.1	1	0
preproenkephalin preproenkephalin: initial enkephalin precursor	2.44	2	0
temporin temporin: isolated from frogs Rana temporaria & R. clamitans; has many isoforms; amino acid sequence in first source	7.49	2	0
leptin Leptin: A 16-kDa peptide hormone secreted from WHITE ADIPOCYTES. Leptin serves as a feedback signal from fat cells to the CENTRAL NERVOUS SYSTEM in regulation of food intake, energy balance, and fat storage.	4.94	8	1
pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O.	4.01	4	0
pustulan [no description available]	2.03	1	0
filipin Filipin: A complex of polyene antibiotics obtained from Streptomyces filipinensis. Filipin III alters membrane function by interfering with membrane sterols, inhibits mitochondrial respiration, and is proposed as an antifungal agent. Filipins I, II, and IV are less important.	1.95	1	0
phenanthrenes Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.	9.97	12	0
2-(3-pyridine)acetic acid 3-pyridylacetic acid : A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids.	2.11	1	0	monocarboxylic acid; pyridines	human xenobiotic metabolite
ureidosuccinic acid ureidosuccinic acid: RN given refers to (DL)-isomer. N-carbamoylaspartic acid : An N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group.	2.11	1	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
arabinofuranosylcytosine triphosphate [no description available]	2.11	1	0	pyrimidine ribonucleoside monophosphate
aminoethylphosphonic acid Aminoethylphosphonic Acid: An organophosphorus compound isolated from human and animal tissues.. (2-aminoethyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group.	2.11	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
gamma-guanidinobutyric acid gamma-guanidinobutyric acid: RN given refers to parent cpd. 4-guanidinobutyric acid : A monocarboxylic acid that is butanoic acid substituted by a guanidino group at position 4.. 4-guanidinobutanoate : A monocarboxylic acid anion that is the conjugate base of 4-guanidinobutanoic acid.. 4-guanidinobutanoic acid : The 4-guanidino derivative of butanoic acid.	2.11	1	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration.	2.11	1	0	cyclitol; hexol
pentachlorophenol PENTA: structure given in first source	2.11	1	0	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
nsc-267703 [no description available]	2.11	1	0	anthracycline
n-acetyltryptophan N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan.	2.11	1	0	N-acetyl-amino acid; tryptophan derivative	metabolite
tyrphostin ag957 tyrphostin AG957: tyrosine kinase blocker; structure given in first source	2.11	1	0	aromatic amine
2-amino-4-phosphonobutyric acid 2-amino-4-phosphonobutyric acid: glutamate antagonist in locust muscle; structure; do not confuse with L-AP4, which is the propionic acid version	2.11	1	0
aristolochic acid i aristolochic acid I: phospholipase A inhibitor. aristolochic acid A : An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic.	2.11	1	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.11	1	0	1-benzofurans; aromatic ketone	uricosuric drug
benzylhydrochlorothiazide [no description available]	2.11	1	0	benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide
eucalyptol [no description available]	2.11	1	0
amberlite cg 400 [no description available]	2.11	1	0	methyl ester; organic heteropentacyclic compound; yohimban alkaloid
stallimycin [no description available]	2.11	1	0
domperidone Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.	2.11	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
ellipticine ellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11.	2.11	1	0	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite
glyphosate glyphosate: active cpd in herbicidal formulation Roundup; inhibits EC 2.5.1.19, 5-enolpyruvylshikimate-3-phosphate synthase; structure. glyphosate : A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS).	2.11	1	0	glycine derivative; phosphonic acid	agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	2.11	1	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
miltefosine miltefosine: hexadecyl phosphocholine derivative of cisplatin; did not substantially activate HIV long terminal repeat; less toxic than cisplatin. miltefosine : A phospholipid that is the hexadecyl monoester of phosphocholine.	2.11	1	0	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor
hypericin [no description available]	2.11	1	0
batyl alcohol batyl alcohol: RN given refers to cpd without isomeric designation. batilol : An alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.	2.11	1	0	alkylglycerol
imipramine Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.	2.11	1	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
nsc 664704 kenpaullone: inhibits CDK1/cyclin B; structure in first source. kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).	2.11	1	0	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector
ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.	2.11	1	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
khellin Khellin: A vasodilator that also has bronchodilatory action. It has been employed in the treatment of angina pectoris, in the treatment of asthma, and in conjunction with ultraviolet light A, has been tried in the treatment of vitiligo. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1024). khellin : A furanochrome in which the basic tricyclic skeleton is substituted at positions 4 and 9 with methoxy groups and at position 7 with a methyl group. A major constituent of the plant Ammi visnaga it is a herbal folk medicine used for various illnesses, its main effect being as a vasodilator.	2.11	1	0	furanochromone; organic heterotricyclic compound; oxacycle	anti-asthmatic agent; bronchodilator agent; cardiovascular drug; vasodilator agent
2-amino-3-phosphonopropionic acid 2-amino-3-phosphonopropionic acid: metabotropic glutamate receptor antagonist; do not confuse AP-3 used as an abbreviation for this with enhancer-binding protein AP-3 (a trans-activator) or clathrin assembly protein AP-3. 2-amino-3-phosphonopropanoic acid : A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group.	2.11	1	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
benzylsuccinic acid benzylsuccinic acid: inhibitor of carboxypeptidase A. 2-benzylsuccinic acid : A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent.	2.11	1	0	dicarboxylic acid	bacterial xenobiotic metabolite
beta-lapachone beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.	2.11	1	0	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite
mesoridazine Mesoridazine: A phenothiazine antipsychotic with effects similar to CHLORPROMAZINE.. mesoridazine : A phenothiazine substituted at position 2 (para to the S atom) by a methylsulfinyl group, and on the nitrogen by a 2-(1-methylpiperidin-2-yl)ethyl group.	2.11	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methoxsalen Methoxsalen: A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation.. methoxsalen : A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis.	2.11	1	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
oxaprozin Oxaprozin: An oxazole-propionic acid derivative, cyclooxygenase inhibitor, and non-steroidal anti-inflammatory drug that is used in the treatment of pain and inflammation associated with of OSTEOARTHRITIS; RHEUMATOID ARTHRITIS; and ARTHRITIS, JUVENILE.. oxaprozin : A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis.	2.11	1	0	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
penicillamine [no description available]	2.11	1	0	non-proteinogenic alpha-amino acid; thiol
pentoxifylline [no description available]	2.11	1	0	oxopurine
phenolsulfonphthalein Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.	2.11	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
Picrotin, analytical standard [no description available]	2.11	1	0	furopyran
pomiferin pomiferin: structure in first source	2.11	1	0	isoflavanones
pridinol pridinol: antispasmodic & muscle relaxant; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7539. pridinol : A piperidine substituted at position 1 by a 3-hydroxy-3,3-diphenylpropyl group.	2.11	1	0	piperidines; tertiary alcohol	antiparkinson drug; muscle relaxant
sulfaquinoxaline Sulfaquinoxaline: An antiprotozoal agent used to combat coccidial infections of swine, cattle, fowl, and other veterinary animals. Also used in controlling outbreaks of fowl typhoid and fowl cholera and in treatment of infectious enteritis.	2.11	1	0	benzenes; sulfonamide
suramin Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.. suramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.	2.11	1	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
4-methylglutamic acid 4-methylglutamic acid : A glutamic acid derivative that is glutamic acid substituted by a methyl group at position 4.	2.11	1	0	amino dicarboxylic acid; glutamic acid derivative
pilocarpine hydrochloride pilocarpine hydrochloride : The hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth.	2.11	1	0	hydrochloride
veratramine veratramine: structure. veratramine : A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.	2.11	1	0	piperidine alkaloid
gibberellic acid gibberellic acid: RN given refers to (1alpha,2beta,4aalpha,4bbeta,10beta)-isomer; structure. gibberellin A3 : A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4.	2.11	1	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
santowhite powder 4,4'-butylidenebis(6-tert-butyl-m-cresol): putatively both an androgen and estrogen antagonist; structure in first source	2.11	1	0
fentichlor fentichlor: structure. fenticlor : An aryl sulfide having two 5-chloro-2-hydroxyphenyl groups attached to sulfur; an antiinfective drug mostly used in veterinary medicine.	2.11	1	0	aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol	antiinfective agent; drug allergen
pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration.	2.11	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
hexadecanolide hexadecanolide: structure in first source	2.11	1	0	macrolide
pamoic acid pamoic acid: RN given refers to parent cpd; structure	2.11	1	0	dicarboxylic acid
carzenide [no description available]	2.11	1	0	sulfonamide
estradiol 17 beta-cypionate [no description available]	2.11	1	0	steroid ester
lithocholic acid Lithocholic Acid: A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.. lithocholic acid : A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action.. lithocholate : A bile acid anion that is the conjugate base of lithocholic acid.	2.11	1	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
jervine jervine: teratogen from Veratrum grandiflorum; RN given refers to parent cpd(3beta,23beta)-isomer; structure	2.11	1	0	piperidines
bicuculline Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.. bicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species.	2.11	1	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
salicylurate salicylurate: RN given refers to parent cpd. salicyluric acid : An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.. salicylurate : A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.	2.11	1	0	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin
3,5-pyridinedicarboxylic acid 3,5-pyridinedicarboxylic acid: structure in first source	2.11	1	0	pyridinedicarboxylic acid
ricinine [no description available]	2.11	1	0	nitrile; pyridine alkaloid; pyridone
carinamide [no description available]	2.11	1	0
3,5-dibromotyrosine 3,5-dibromotyrosine: used to synthesize various secondary metabolites from marine sponges	2.11	1	0	monocarboxylic acid
hematoporphyrin Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.	2.11	1	0
1H-indazol-3-amine 1H-indazol-3-amine: structure in first source	2.11	1	0	indazoles
1,1'-methylenedi-2-naphthol 1,1'-methylenedi-2-naphthol: piscicide	2.11	1	0
tricarballylic acid tricarballylic acid: RN given refers to parent cpd. tricarballylic acid : A tricarboxylic acid that is glutaric acid in which one of the beta-hydrogens is substituted by a carboxy group.	2.11	1	0	tricarboxylic acid
popop [no description available]	2.11	1	0	1,3-oxazoles	fluorochrome
2-tert-butylhydroquinone 2-tert-butylhydroquinone: an anticarcinogenic and chemopreventive agent. 2-tert-butylhydroquinone : A member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group.	2.11	1	0	hydroquinones	food antioxidant
7-hydroxychlorpromazine 7-hydroxychlorpromazine: RN given refers to parent cpd	2.11	1	0	phenothiazines
cme-carbodiimide [no description available]	2.11	1	0
cyclacillin Cyclacillin: A cyclohexylamido analog of PENICILLANIC ACID.	2.11	1	0	penicillin	antibacterial drug
strombine N-methyliminodiacetic acid: structure in first source	2.11	1	0
thymolphthalein Thymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.	2.11	1	0	terpene lactone
1,4,5,8-naphthalenetetracarboxylic acid 1,4,5,8-naphthalenetetracarboxylic acid: structure given in first source	2.11	1	0
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione [no description available]	2.11	1	0	anthracycline
hydroxyphenylazouracil Hydroxyphenylazouracil: Inhibitor of DNA replication in gram-positive bacteria.	2.11	1	0
canadine canadine: RN given refers to cpd without isomeric designation; structure. canadine : A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10.	2.11	1	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
pimonidazole pimonidazole: structure given in first source	2.11	1	0
flavone acetic acid flavone acetic acid: structure given in first source	2.11	1	0
trichlorophene trichlorophene: contains 20 carbon atoms; do not confuse with trichlorophene as name for trichloro derivs of 2,2'-methylenebisphenol (contain 13 carbon atoms)	2.11	1	0
verapamil hydrochloride verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.	2.11	1	0
4-aminomethylbenzoic acid [no description available]	2.11	1	0	benzoic acids
cedrol cedrol: a cyclic terpenoid from cedarwood oil; 8-epicedrol is an epimer	2.11	1	0	cedrane sesquiterpenoid; tertiary alcohol
propazole propazole: RN given refers to parent cpd; structure	2.11	1	0	benzimidazoles
reserpic acid reserpic acid: inhibitor of norepinephrine transport into chromaffin vesicle ghosts; RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomer parent cpd; structure given in first source	2.11	1	0	yohimban alkaloid
pifexole pifexole: structure	2.11	1	0
Diphenolic acid diphenolic acid: an estrogenic ligand	2.11	1	0	bisphenol
Melicopidine [no description available]	2.11	1	0	acridines
resorufin [no description available]	2.11	1	0	phenoxazine
vinburnine [no description available]	2.11	1	0	alkaloid
pacein PAcein: structure. pacein : A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8.. orcein : A variable mixture of several compounds isolated from lichens, the eight most abundant being alpha-aminoorcein, alpha-hydroxyorcein, beta-aminoorcein, gamma-aminoorcein, beta-hydroxyorcein, gamma-hydroxyorcein, beta-aminoorceimine and beta-aminoorceimine (all are phenoxazine-based). It is used for the demonstration of elastic fibres as well as to stain the rough endoplasmic reticulum of hepatitis B infected liver cells.	2.11	1	0
alantolactone alantolactone: allergenic sesquiterpene lactone; crystalline mixture of alantolactones from group of sesquiterpenes; structure. alantolactone : A sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3.	2.11	1	0	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide 2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide: structure	2.11	1	0
tetrandrine tetrandrine: a bisbenzylisoquinoline that exhibits antifibrogenic activity	2.11	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
stictic acid stictic acid: antioxidant from lichen, Usnea articulata; structure in first source	2.11	1	0	aromatic ether
gallocyanine gallocyanine: structure; gallocyanine-chrome alum is used as a nuclear stain to quantitate nucleic acids. gallocyanin : An organic chloride salt composed of 1-carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium and chloride ions in a 1:1 ratio. A histological dye used in solution with an iron alum mordant as a hematoxylin substitute in the H&E stain.	2.11	1	0
propylsulfonic acid propylsulfonic acid: RN given refers to cpd without locant for propyl moiety	2.11	1	0
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide N-cyclohexyl-N'-(2-(4-morpholinyl)ethyl)carbodiimide : A carbodiimide having cyclcohexyl and 2-(4-morpholinyl)ethyl as the two N-substituents.	2.11	1	0	carbodiimide; morpholines	cross-linking reagent
6,6'-dithiodinicotinic acid 6,6'-dithiodinicotinic acid: RN given refers to parent cpd; structure	2.11	1	0
va 061 VA 061: a water-soluble radical initiator; structure in first source	2.11	1	0
n-acetyltyrosine, (dl)-isomer N-acetyltyrosine: RN given refers to (L)-isomer. N-acetyltyrosine : An N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group.	2.11	1	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
cinchonine [no description available]	2.11	1	0	(8xi)-cinchonan-9-ol; cinchona alkaloid	metabolite
n(6)-(delta(2)-isopentenyl)adenine N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group.	2.11	1	0	6-isopentenylaminopurine	cytokinin
2-Phthalimidoglutaricacid [no description available]	2.11	1	0	glutamic acid derivative
nsc-87877 NSC-87877: potent Shp2 (nonreceptor protein tyrosine phosphatase) inhibitor; structure in first source	2.11	1	0
methyl lithocholate methyl lithocholate: RN given refers to (3alpha,5beta)-isomer	2.11	1	0
nipecotic acid amide nipecotic acid amide: RN & N1 form 9th CI Form Index; RN given refers to cpd without isomeric designation. nipecotamide : The amide resulting from the formal condensation of nipecotic acid with ammonia.	2.11	1	0	piperidinecarboxamide
dimethacrine dimethacrine: minor descriptor (75-84); on-line & Index Medicus search ACRIDINES (75-84); RN given refers to parent cpd without isomeric designation	2.11	1	0	acridines
dehydroabietic acid dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.	2.11	1	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
4-deoxypyridoxine 5'-phosphate [no description available]	2.11	1	0
4-(phenylthio)butanoic acid 4-(phenylthio)butanoic acid: structure in first source	2.11	1	0
bis-a-tda bis-A-TDA: structure given in first source	2.11	1	0
1-amino-2-phenylethylphosphonic acid 1-amino-2-phenylethylphosphonic acid: RN given refers to cpd without isomeric designation: structure given in first source	2.11	1	0
4-fluoro-alpha-hydroxybenzeneacetic acid 4-fluoro-alpha-hydroxybenzeneacetic acid: an aprepitant urinary metabolite; structure in first source	2.11	1	0
Isopteropodin [no description available]	2.11	1	0	indolizines
benzpiperylone benzpiperylone: spelled benzopiperylone in title	2.11	1	0	pyrazoles; ring assembly
carboxyamido-triazole carboxyamido-triazole: structure given in first source; coccidiostat; U.S. patent No. 4,590,201	2.11	1	0
nsc 607097 [no description available]	2.11	1	0
pacifenol pacifenol: isolated from sea weeds and marine alga Laurencia claviformis; RN refers to (2R,5R,5aR,7S,8S,9aS)-isomer; structure in first source	2.11	1	0
n-phenyliminodiacetic acid [no description available]	2.11	1	0
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.11	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
cystamine hydrochloride [no description available]	2.11	1	0
dipiperidinoethane-di-n-oxide dipiperidinoethane-di-N-oxide: oxidized neurotoxic dipiperidinoethane deriv; structure given in first source	2.11	1	0
benzyl-beta-d-xyloside benzyl-beta-D-xyloside: RN given refers to (beta-D)-isomer	2.11	1	0
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid [no description available]	2.11	1	0	dicarboxylic acid
2,4-dinitrophenylacetic acid 2,4-dinitrophenylacetic acid: RN given refers to parent cpd	2.11	1	0
sitosterol, (3beta)-isomer Sobatum: tradename; active fraction of Solanum trilobatum; reduces side-effects of radiation-induced toxicity. sitosterol : A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3.	2.11	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
(5-Phenyl-1,2,4-triazol-3-yl)urea [no description available]	2.11	1	0	benzenes
fumagillol fumagillol: from Penicillium jensenii; FR 65814 is an analog; structure given in first source. fumagillol : A sesquiterpenoid with antimicrobial properties.	2.11	1	0	secondary alcohol; sesquiterpenoid; spiro-epoxide	antimicrobial agent
vacquinol-1 [no description available]	2.11	1	0
aspidospermine aspidospermine: an indole fused to a qunoline; isolated from Aspidosperma tree; structure given in first source. aspidospermine : An indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1.	2.11	1	0	indole alkaloid
guaiol guaiol: structure in first source	2.11	1	0	guaiane sesquiterpenoid
benzatropine methanesulfonate [no description available]	2.11	1	0
pseudoyohimbine [no description available]	2.11	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gant58 GANT58: inhibits hedgehog signalling; structure in first source	2.11	1	0	pyridines
nsc 88915 4-pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate): a tyrosyl-DNA phosphodiesterase inhibitor; structure in first source	2.11	1	0
o-acetylsolasodine [no description available]	2.11	1	0
viroallosecurinine [no description available]	2.11	1	0	indolizines
4-methyl-2-quinazolinamine 4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source	2.11	1	0
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid 1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid: inhibits PH domain leucine-rich repeat protein phosphatase; structure in first source	2.11	1	0
adamantoylcytarabine adamantoylcytarabine: RN given refers to parent cpd; structure in Negwer, 5th ed, #4393	2.11	1	0
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester [no description available]	2.11	1	0	naphthalenes
noscapine Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent.. (-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects.	2.11	1	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
LSM-1290 [no description available]	2.11	1	0	benzazepine alkaloid; cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone [no description available]	2.11	1	0
nsc 154020 [no description available]	2.11	1	0	N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid [no description available]	2.11	1	0	2-hydroxyisophthalic acid
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one 2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one: structure in first source	2.11	1	0	cyclic ketone; quinuclidines
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine [no description available]	2.11	1	0	benzodioxoles
croton factor f1 croton factor F1: induces ornithine decarboxylase activity; structure given in first source. 16-hydroxyphorbol 13-decanoate 12-palmitate : A phorbol ester that consists of 16-hydroxyphorbol bearing O-hexadecanoyl (palmitoyl) and O-decanoyl substituents at position 12 and 13 respectively.	2.11	1	0	phorbol ester; tertiary alpha-hydroxy ketone
medicarpin (-)-medicarpin : The (-)-enantiomer of medicarpin.	2.11	1	0	medicarpin	plant metabolite
gitoxigenin gitoxigenin: structure	2.11	1	0	14beta-hydroxy steroid; 16beta-hydroxy steroid; 3beta-hydroxy steroid
aromoline aromoline: from roots of Stephania cepharantha; structure given in first source	2.11	1	0
nsc668394 [no description available]	2.11	1	0
gant 61 GANT 61: a sonic hedgehog pathway inhibitor and Gli inhibitor; structure in first source. GANT61 : An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor.	2.11	1	0	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
nortriptyline hydrochloride [no description available]	2.11	1	0	organic tricyclic compound	geroprotector
nsc 45641 [no description available]	2.11	1	0
geraniol [no description available]	2.11	1	0	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component
aconitic acid cis-aconitic acid : The cis-isomer of aconitic acid.	2.11	1	0	aconitic acid	fundamental metabolite
amygdalin [no description available]	2.11	1	0
alpha-phenylcinnamate alpha-phenylcinnamate: RN given refers to parent cpd	2.11	1	0
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	2.11	1	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
ethyldimethylaminopropyl carbodiimide 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride: structure in first source	2.11	1	0
tamoxifen citrate [no description available]	2.11	1	0	citrate salt	angiogenesis inhibitor; anticoronaviral agent
eskazine [no description available]	2.11	1	0
nsc 336628 [no description available]	2.11	1	0
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one [no description available]	2.11	1	0	oxopurine
cambinol cambinol: inhibitor of human silent information regulator 2 enzymes; structure in first source	2.11	1	0
nsc 117199 [no description available]	2.11	1	0
mangostin mangostin: xanthone from rind of Garcinia mangostana Linn. fruit. alpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.	2.11	1	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
coumestrol Coumestrol: A daidzein derivative occurring naturally in forage crops which has some estrogenic activity.. coumestrol : A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9.	2.11	1	0	coumestans; delta-lactone; polyphenol	anti-inflammatory agent; antioxidant; plant metabolite
rottlerin rottlerin: an angiogenesis inhibitor; an inhibitor of protein kinase Cdelta (PKCdelta) and calmodulin kinase III; RN refers to (E)-isomer; do not confuse this chalcone with an anthraquinone that is also called rottlerin (RN 481-72-1);. rottlerin : A chromenol that is 2,2-dimethyl-2H-chromene substituted by hydroxy groups at positions 5 and 7, a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6 and a (1E)-3-oxo-1-phenylprop-1-en-3-yl group at position 8. A potassium channel opener, it is isolated from Mallotus philippensis.	2.11	1	0	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite
ellagic acid [no description available]	2.11	1	0	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
7,8-dimethylalloxazine 7,8-dimethylalloxazine: structure. 7,8-dimethylisoalloxazine : A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8.. lumichrome : A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution.	2.11	1	0	7,8-dimethylbenzo[g]pteridine-2,4-dione	plant metabolite
dihydrothobainone [no description available]	2.11	1	0
piperic acid piperinic acid: from Piper longum; structure in first source. (E,E)-piperic acid : A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum).	2.11	1	0	alpha,beta-unsaturated monocarboxylic acid; benzodioxoles	plant metabolite
abscisic acid 2-trans-abscisic acid : An abscisic acid in which the two acyclic double bonds both have trans-geometry.	2.11	1	0	abscisic acids
radicinin radicinin: mold metabolite from plant pathogen Stemphylium radicinum; RN given refers to (2S-(2alpha,3beta,7E))-isomer; structure	2.11	1	0	aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid [no description available]	2.11	1	0	imidazopyrazine
hispanolone hispanolone: structure in first source	2.11	1	0
veratridine Veratridine: A benzoate-cevane found in VERATRUM and Schoenocaulon. It activates SODIUM CHANNELS to stay open longer than normal.	2.11	1	0
zimelidine hydrochloride [no description available]	2.11	1	0
chlortetracycline hydrochloride Alexomycin: a thiopeptide; a cyclic peptide antibiotic produced by Streptomyces arginensis isolated from the soil	2.11	1	0
viridicatumtoxin viridicatumtoxin: isolated from cultures of Penicillium viridicatum; RN given refers to 2'alpha,7'beta,11'abeta,12'beta-(-) isomer. viridicatumtoxin : A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus.	2.11	1	0
dacarbazine (E)-dacarbazine : A dacarbazine in which the N=N double bond adopts a trans-configuration.	2.11	1	0	dacarbazine
hematein hematein: structure. hematein : An organic heterotetracyclic compound that is -6a,7-dihydrobenzo[b]indeno[1,2-d]pyran-9-one carrying four hydroxy substituents at positions 3, 4, 6a and 10.	2.11	1	0
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.	2.01	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
beta-alanine [no description available]	2.01	1	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
catechol [no description available]	2.31	1	0	catechols	allelochemical; genotoxin; plant metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	2.05	1	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
glycine [no description available]	2.73	3	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
histamine [no description available]	5.3	16	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.	2.41	2	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
acetazolamide Acetazolamide: One of the CARBONIC ANHYDRASE INHIBITORS that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337)	2.03	1	0	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
mesalamine Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position.	2.73	3	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
aminosalicylic acid Aminosalicylic Acid: An antitubercular agent often administered in association with ISONIAZID. The sodium salt of the drug is better tolerated than the free acid.. 4-aminosalicylic acid : An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4.	2.45	2	0	aminobenzoic acid; phenols	antitubercular agent
sulfapyridine Sulfapyridine: Antibacterial, potentially toxic, used to treat certain skin diseases.. sulfapyridine : A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position.	2.05	1	0	pyridines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; dermatologic drug; drug allergen; environmental contaminant; xenobiotic
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	2.73	3	0
tyramine [no description available]	2	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.	2	1	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
cysteine [no description available]	2	1	0	cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite
triiodothyronine Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.. 3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.	2	1	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	2	1	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	2	1	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	2.46	2	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.	2	1	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	2.73	3	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
levodopa Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.. L-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease	4.35	19	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.	4.35	19	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.	2.73	3	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
2-aminoisobutyric acid 2-aminoisobutyric acid: RN given refers to unlabeled cpd. 2-aminoisobutyric acid : A rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays.	2.01	1	0	2,2-dialkylglycine zwitterion; 2,2-dialkylglycine
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	2.46	2	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
asparagine Asparagine: A non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. It is biosynthesized from ASPARTIC ACID and AMMONIA by asparagine synthetase. (From Concise Encyclopedia Biochemistry and Molecular Biology, 3rd ed). asparagine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.	2	1	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.	5.5	20	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
valine Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine.	2.46	2	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
threonine Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group.	2	1	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	4.45	21	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
isoleucine Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine.	2.46	2	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	2.46	2	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
aminoethylpiperazine aminoethylpiperazine: RN given refers to parent cpd with specified locant	4.19	16	0
D-proline [no description available]	2.31	1	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; proline	mouse metabolite
D-tryptophan [no description available]	5.51	20	0	D-alpha-amino acid; tryptophan zwitterion; tryptophan	bacterial metabolite
3-methoxytyrosine 3-O-methyldopa : A L-tyrosine derivative that is the 3-methoxy derivative of L-dopa.	2.47	2	0	aromatic L-alpha-amino acid zwitterion; L-tyrosine derivative; monomethoxybenzene; non-proteinogenic L-alpha-amino acid	human metabolite
3,5-dibromotyrosine 3,5-dibromotyrosine: used to synthesize various secondary metabolites from marine sponges	2.31	1	0	monocarboxylic acid
2-(aminomethyl)pyridine [no description available]	4.19	16	0	pyridines
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.73	3	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
methyldopa Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.. alpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.	2	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
d-lactic acid (R)-lactic acid : An optically active form of lactic acid having (R)-configuration.	2.41	2	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
n-acetyltyrosine N-acetyl-L-tyrosine : An N-acetyltyrosine in which the chiral centre has L configuration.	2.41	2	0	N-acetyltyrosine; N-acyl-L-tyrosine	biomarker; EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor; human urinary metabolite
tyrosine methyl ester tyrosine methyl ester: RN given refers to (L)-isomer. methyl L-tyrosinate : An L-tyrosyl ester that is the methyl ester of L-tyrosine.	2.41	2	0	L-tyrosyl ester; methyl ester
D-serine [no description available]	2.47	2	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
D-alanine [no description available]	2	1	0	alanine zwitterion; alanine; D-alpha-amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite
copper histidine [no description available]	5.41	18	0	D-alpha-amino acid; histidine; polar amino acid zwitterion	Saccharomyces cerevisiae metabolite
D-tyrosine [no description available]	3.59	8	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; tyrosine	Escherichia coli metabolite
D-valine D-valine : The D-enantiomer of valine.	2.17	1	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; valine
n-myristoylglycine N-myristoylglycine: RN given refers to parent cpd. N-myristoylglycine : An N-acylglycine in which the acyl group is specified as myristoyl (tetradecanoyl).	2.31	1	0	fatty amide; N-acylglycine	human blood serum metabolite; human urinary metabolite
2-(methylamino)isobutyric acid alpha-(methylamino)isobutyric acid : A non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group.	2.01	1	0	alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound	human urinary metabolite
2-(2-aminoethyl)pyridine 2-(2-aminoethyl)pyridine: histamine H1 receptor agonist inducing cross-tolerance to histamine; RN given refers to parent cpd; structure	4.19	16	0	aminoalkylpyridine; primary amine	histamine agonist; metabolite
methyl tryptophan, (l-trp)-isomer [no description available]	2.41	2	0
1-methylhistidine 1-methylhistidine: found in muscle proteins; RN given refers to (L)-isomer. 1-methylhistidine : A methylhistidine in which the methyl group is located at N-1.. N(tele)-methyl-L-histidine : A L-histidine derivative in which the methyl group is at N(tele)-position.	2.17	1	0	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite
D-dopa D-dopa : The D-enantiomer of dopa.	4.19	16	0	amino acid zwitterion; D-tyrosine derivative; dopa
droxidopa Droxidopa: A synthetic precursor of norepinephrine that is used in the treatment of PARKINSONIAN DISORDERS and ORTHOSTATIC HYPOTENSION.. droxidopa : A serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension	2	1	0	catechols; L-tyrosine derivative	antihypertensive agent; prodrug; vasoconstrictor agent
beta-hydroxyphenylalanine beta-hydroxyphenylalanine: RN given refers to beta cpd	2.31	1	0
dehydroabietic acid dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.	2.31	1	0	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
2,2-dimethyl-beta-alanine [no description available]	2	1	0
3,4-dihydroxybenzyl alcohol 3,4-dihydroxybenzyl alcohol: structure given in first source	2.31	1	0
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid 2-aminobicyclo(2,2,1)heptane-2-carboxylic acid: amino acid analog; releases insulin; RN given refers to unlabeled cpd without isomeric designation	2	1	0	monoterpenoid
proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.	2	1	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
4-aminophenylalanine 4-aminophenylalanine: RN given refers to cpd without isomeric designation. 4-amino-L-phenylalanine : The L-enantiomer of 4-aminophenylalanine.. 4-aminophenylalanine : A phenylalanine derivative that is phenylalanine carrying an amino group at position 4 on the benzene ring.	4.13	15	0	4-aminophenylalanine; amino acid zwitterion
4-methylphenylalanine 4-methylphenylalanine: RN given refers to cpd without isomeric designation; structure given in first source	2.17	1	0
abrine abrine: from seeds of Abrus precatorius; structure in first source. N(alpha)-methyl-L-tryptophan : A N-methyl-L-alpha-amino acid that is the N(alpha)-methyl derivative of L-tryptophan.	2.41	2	0	L-tryptophan derivative; N-methyl-L-alpha-amino acid zwitterion; N-methyl-L-alpha-amino acid	Escherichia coli metabolite
epitrate (S)-adrenaline : The S-enantiomer of adrenaline.	3.84	11	0	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
4-2-Aminoethyl-morpholine [no description available]	4.19	16	0	morpholines
D-leucine [no description available]	2.46	2	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; leucine	bacterial metabolite; Saccharomyces cerevisiae metabolite
n-acetyltryptophan N-acetyl-L-tryptophan : A N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan.	2.41	2	0	L-tryptophan derivative; N-acetyl-L-amino acid	metabolite
phenylalanine methyl ester phenylalanine methyl ester: RN given refers to (L)-isomer. methyl L-phenylalaninate : An alpha-amino acid ester that is the methyl ester of L-phenylalanine.	2.41	2	0	alpha-amino acid ester; L-phenylalanine derivative
quercetin [no description available]	2.31	1	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
3-tyrosine 3-tyrosine: RN given refers to cpd with unspecified isomeric designation. L-m-tyrosine : A hydroxyphenylalanine that is L-phenylalanine with a substituent hydroxy group at position 3.	2.17	1	0	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite

Condition	Indicated	Relationship Strength	Studies	Trials
Ache [description not available]	0	10.92	45	6
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	0	10.92	45	6
Starvation Lengthy and continuous deprivation of food. (Stedman, 25th ed)	0	4.9	37	0
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	0	21.84	329	14
Benign Neoplasms [description not available]	0	14.24	174	5
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	0	19.24	174	5
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	0	11.59	328	0
Jejunal Diseases Pathological development in the JEJUNUM region of the SMALL INTESTINE.	0	2.05	1	0
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	0	4.22	18	0
Scurf [description not available]	0	2.53	2	0
Dandruff Excessive shedding of dry scaly material from the scalp in humans.	0	2.53	2	0
Brain Disorders [description not available]	0	7.28	30	0
Brain Diseases Pathologic conditions affecting the BRAIN, which is composed of the intracranial components of the CENTRAL NERVOUS SYSTEM. This includes (but is not limited to) the CEREBRAL CORTEX; intracranial white matter; BASAL GANGLIA; THALAMUS; HYPOTHALAMUS; BRAIN STEM; and CEREBELLUM.	0	7.28	30	0
BH4 Deficiency [description not available]	0	31.23	2,779	142
Phenylketonurias A group of autosomal recessive disorders marked by a deficiency of the hepatic enzyme PHENYLALANINE HYDROXYLASE or less frequently by reduced activity of DIHYDROPTERIDINE REDUCTASE (i.e., atypical phenylketonuria). Classical phenylketonuria is caused by a severe deficiency of phenylalanine hydroxylase and presents in infancy with developmental delay; SEIZURES; skin HYPOPIGMENTATION; ECZEMA; and demyelination in the central nervous system. (From Adams et al., Principles of Neurology, 6th ed, p952).	0	26.23	2,779	142
Graft-Versus-Host Disease [description not available]	0	3.53	7	0
Graft vs Host Disease The clinical entity characterized by anorexia, diarrhea, loss of hair, leukopenia, thrombocytopenia, growth retardation, and eventual death brought about by the GRAFT VS HOST REACTION.	0	3.53	7	0
Caliciviridae Infections Virus diseases caused by CALICIVIRIDAE. They include HEPATITIS E; VESICULAR EXANTHEMA OF SWINE; acute respiratory infections in felines, rabbit hemorrhagic disease, and some cases of gastroenteritis in humans.	0	2.31	1	0
Weight Reduction [description not available]	0	11.73	19	10
Malignant Carcinoid Syndrome A symptom complex associated with CARCINOID TUMOR and characterized by attacks of severe flushing of the skin, diarrheal watery stools, bronchoconstriction, sudden drops in blood pressure, edema, and ascites. The carcinoid tumors are usually located in the gastrointestinal tract and metastasize to the liver. Symptoms are caused by tumor secretion of serotonin, prostaglandins, and other biologically active substances. Cardiac manifestations constitute CARCINOID HEART DISEASE. (Dorland, 27th ed; Stedman, 25th ed)	0	15.11	54	18
Weight Loss Decrease in existing BODY WEIGHT.	0	11.73	19	10
Apnea, Obstructive Sleep [description not available]	0	14.43	28	15
Daytime Sleepiness [description not available]	0	14.36	28	14
Gelineau Syndrome [description not available]	0	14.85	36	23
Disorders of Excessive Somnolence Disorders characterized by hypersomnolence during normal waking hours that may impair cognitive functioning. Subtypes include primary hypersomnia disorders (e.g., IDIOPATHIC HYPERSOMNOLENCE; NARCOLEPSY; and KLEINE-LEVIN SYNDROME) and secondary hypersomnia disorders where excessive somnolence can be attributed to a known cause (e.g., drug affect, MENTAL DISORDERS, and SLEEP APNEA SYNDROME). (From J Neurol Sci 1998 Jan 8;153(2):192-202; Thorpy, Principles and Practice of Sleep Medicine, 2nd ed, p320)	0	14.36	28	14
Narcolepsy A condition characterized by recurrent episodes of daytime somnolence and lapses in consciousness (microsomnias) that may be associated with automatic behaviors and AMNESIA. CATAPLEXY; SLEEP PARALYSIS, and hypnagogic HALLUCINATIONS frequently accompany narcolepsy. The pathophysiology of this disorder includes sleep-onset rapid eye movement (REM) sleep, which normally follows stage III or IV sleep. (From Neurology 1998 Feb;50(2 Suppl 1):S2-S7)	0	14.85	36	23
Sleep Apnea, Obstructive A disorder characterized by recurrent apneas during sleep despite persistent respiratory efforts. It is due to upper airway obstruction. The respiratory pauses may induce HYPERCAPNIA or HYPOXIA. Cardiac arrhythmias and elevation of systemic and pulmonary arterial pressures may occur. Frequent partial arousals occur throughout sleep, resulting in relative SLEEP DEPRIVATION and daytime tiredness. Associated conditions include OBESITY; ACROMEGALY; MYXEDEMA; micrognathia; MYOTONIC DYSTROPHY; adenotonsilar dystrophy; and NEUROMUSCULAR DISEASES. (From Adams et al., Principles of Neurology, 6th ed, p395)	0	14.43	28	15
Binge-Eating Disorder A disorder associated with three or more of the following: eating until feeling uncomfortably full; eating large amounts of food when not physically hungry; eating much more rapidly than normal; eating alone due to embarrassment; feeling of disgust, DEPRESSION, or guilt after overeating. Criteria includes occurrence on average, at least 2 days a week for 6 months. The binge eating is not associated with the regular use of inappropriate compensatory behavior (i.e. purging, excessive exercise, etc.) and does not co-occur exclusively with BULIMIA NERVOSA or ANOREXIA NERVOSA. (From DSM-IV, 1994)	0	4.62	1	1
Acute Coronary Syndrome An episode of MYOCARDIAL ISCHEMIA that generally lasts longer than a transient anginal episode that ultimately may lead to MYOCARDIAL INFARCTION.	0	7.72	2	0
Dry Eye [description not available]	0	14.41	33	14
Dry Eye Syndromes Corneal and conjunctival dryness due to deficient tear production, predominantly in menopausal and post-menopausal women. Filamentary keratitis or erosion of the conjunctival and corneal epithelium may be caused by these disorders. Sensation of the presence of a foreign body in the eye and burning of the eyes may occur.	0	14.41	33	14
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	14.27	127	12
Experimental Neoplasms [description not available]	0	8.38	123	0
Cystic Fibrosis of Pancreas [description not available]	0	6.69	53	0
Cystic Fibrosis An autosomal recessive genetic disease of the EXOCRINE GLANDS. It is caused by mutations in the gene encoding the CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR expressed in several organs including the LUNG, the PANCREAS, the BILIARY SYSTEM, and the SWEAT GLANDS. Cystic fibrosis is characterized by epithelial secretory dysfunction associated with ductal obstruction resulting in AIRWAY OBSTRUCTION; chronic RESPIRATORY INFECTIONS; PANCREATIC INSUFFICIENCY; maldigestion; salt depletion; and HEAT PROSTRATION.	0	6.69	53	0
Diathesis [description not available]	0	4.69	6	0
Overweight A status with BODY WEIGHT that is above certain standards. In the scale of BODY MASS INDEX, overweight is defined as having a BMI of 25.0-29.9 kg/m2. Overweight may or may not be due to increases in body fat (ADIPOSE TISSUE), hence overweight does not equal over fat.	0	12.84	27	8
Obesity A status with BODY WEIGHT that is grossly above the recommended standards, usually due to accumulation of excess FATS in the body. The standards may vary with age, sex, genetic or cultural background. In the BODY MASS INDEX, a BMI greater than 30.0 kg/m2 is considered obese, and a BMI greater than 40.0 kg/m2 is considered morbidly obese (MORBID OBESITY).	0	14.93	68	7
Alcaptonuria [description not available]	0	8.84	18	1
Alkaptonuria An inborn error of amino acid metabolism resulting from a defect in the enzyme HOMOGENTISATE 1,2-DIOXYGENASE, an enzyme involved in the breakdown of PHENYLALANINE and TYROSINE. It is characterized by accumulation of HOMOGENTISIC ACID in the urine, OCHRONOSIS in various tissues, and ARTHRITIS.	0	8.84	18	1
2019 Novel Coronavirus Disease [description not available]	0	5.08	11	0
Innate Inflammatory Response [description not available]	0	11.81	67	4
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	11.81	67	4
Kahler Disease [description not available]	0	11.37	37	5
Diffuse Large B-Cell Lymphoma [description not available]	0	3.55	9	0
Multiple Myeloma A malignancy of mature PLASMA CELLS engaging in monoclonal immunoglobulin production. It is characterized by hyperglobulinemia, excess Bence-Jones proteins (free monoclonal IMMUNOGLOBULIN LIGHT CHAINS) in the urine, skeletal destruction, bone pain, and fractures. Other features include ANEMIA; HYPERCALCEMIA; and RENAL INSUFFICIENCY.	0	16.37	37	5
Lymphoma, Large B-Cell, Diffuse Malignant lymphoma composed of large B lymphoid cells whose nuclear size can exceed normal macrophage nuclei, or more than twice the size of a normal lymphocyte. The pattern is predominantly diffuse. Most of these lymphomas represent the malignant counterpart of B-lymphocytes at midstage in the process of differentiation.	0	3.55	9	0
Coma A profound state of unconsciousness associated with depressed cerebral activity from which the individual cannot be aroused. Coma generally occurs when there is dysfunction or injury involving both cerebral hemispheres or the brain stem RETICULAR FORMATION.	0	2.69	3	0
Symptom Cluster [description not available]	0	6.63	37	0
Maternal Phenylalanine Hydroxylase Deficiency Disease [description not available]	0	12.53	82	3
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	0	18.19	622	10
Syndrome A characteristic symptom complex.	0	6.63	37	0
ADDH [description not available]	0	11.59	29	8
Attention Deficit Disorder with Hyperactivity A behavior disorder originating in childhood in which the essential features are signs of developmentally inappropriate inattention, impulsivity, and hyperactivity. Although most individuals have symptoms of both inattention and hyperactivity-impulsivity, one or the other pattern may be predominant. The disorder is more frequent in males than females. Onset is in childhood. Symptoms often attenuate during late adolescence although a minority experience the full complement of symptoms into mid-adulthood. (From DSM-V)	0	11.59	29	8
Dysplastic Nevus Syndrome, Hereditary [description not available]	0	3.5	2	0
Malignant Melanoma [description not available]	0	11.32	107	8
Cancer of Skin [description not available]	0	9.5	40	4
Melanoma A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)	0	11.32	107	8
Skin Neoplasms Tumors or cancer of the SKIN.	0	9.5	40	4
Hepatitis B Virus Infection [description not available]	0	2.77	3	0
Hepatitis B INFLAMMATION of the LIVER in humans caused by a member of the ORTHOHEPADNAVIRUS genus, HEPATITIS B VIRUS. It is primarily transmitted by parenteral exposure, such as transfusion of contaminated blood or blood products, but can also be transmitted via sexual or intimate personal contact.	0	7.77	3	0
Autoimmune Diabetes [description not available]	0	14.34	45	23
Diabetes Mellitus, Type 1 A subtype of DIABETES MELLITUS that is characterized by INSULIN deficiency. It is manifested by the sudden onset of severe HYPERGLYCEMIA, rapid progression to DIABETIC KETOACIDOSIS, and DEATH unless treated with insulin. The disease may occur at any age, but is most common in childhood or adolescence.	0	14.34	45	23
Germinoblastoma [description not available]	0	5.27	21	0
Central Nervous System Neoplasm [description not available]	0	2.82	3	0
Lymphoma A general term for various neoplastic diseases of the lymphoid tissue.	0	10.27	21	0
Central Nervous System Neoplasms Benign and malignant neoplastic processes that arise from or secondarily involve the brain, spinal cord, or meninges.	1	4.82	3	0
Infections, Picornaviridae [description not available]	0	4.9	5	0
Dystonia An attitude or posture due to the co-contraction of agonists and antagonist muscles in one region of the body. It most often affects the large axial muscles of the trunk and limb girdles. Conditions which feature persistent or recurrent episodes of dystonia as a primary manifestation of disease are referred to as DYSTONIC DISORDERS. (Adams et al., Principles of Neurology, 6th ed, p77)	0	5.43	14	1
Gastric Ulcer [description not available]	0	2.9	4	0
Stomach Ulcer Ulceration of the GASTRIC MUCOSA due to contact with GASTRIC JUICE. It is often associated with HELICOBACTER PYLORI infection or consumption of nonsteroidal anti-inflammatory drugs (NSAIDS).	0	2.9	4	0
Acute Confusional Senile Dementia [description not available]	0	7.92	51	0
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	0	7.92	51	0
Colitis, Mucous [description not available]	0	17.44	83	20
Diarrhea An increased liquidity or decreased consistency of FECES, such as running stool. Fecal consistency is related to the ratio of water-holding capacity of insoluble solids to total water, rather than the amount of water present. Diarrhea is not hyperdefecation or increased fecal weight.	0	23.06	102	27
Irritable Bowel Syndrome A disorder with chronic or recurrent colonic symptoms without a clearcut etiology. This condition is characterized by chronic or recurrent ABDOMINAL PAIN, bloating, MUCUS in FECES, and an erratic disturbance of DEFECATION.	0	17.44	83	20
Congenital Zika Syndrome [description not available]	0	2.72	2	0
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	0	2.72	2	0
Teratogenesis The formation of CONGENITAL ABNORMALITIES.	0	8.76	3	0
Deficiency, Mental [description not available]	0	11.98	283	1
Microcephaly A congenital abnormality in which the CEREBRUM is underdeveloped, the fontanels close prematurely, and, as a result, the head is small. (Desk Reference for Neuroscience, 2nd ed.)	0	7.3	48	0
Intellectual Disability Subnormal intellectual functioning which originates during the developmental period. This has multiple potential etiologies, including genetic defects and perinatal insults. Intelligence quotient (IQ) scores are commonly used to determine whether an individual has an intellectual disability. IQ scores between 70 and 79 are in the borderline range. Scores below 67 are in the disabled range. (from Joynt, Clinical Neurology, 1992, Ch55, p28)	0	16.98	283	1
Age-Related Osteoporosis [description not available]	0	3.71	10	0
Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis.	0	3.71	10	0
Cerebral Infarction, Middle Cerebral Artery [description not available]	0	3.43	7	0
Acute Ischemic Stroke [description not available]	0	2.82	2	0
Cerebral Ischemia [description not available]	0	8.65	9	0
Injury, Ischemia-Reperfusion [description not available]	0	4.3	16	0
Ischemic Stroke Stroke due to BRAIN ISCHEMIA resulting in interruption or reduction of blood flow to a part of the brain. When obstruction is due to a BLOOD CLOT formed within in a cerebral blood vessel it is a thrombotic stroke. When obstruction is formed elsewhere and moved to block a cerebral blood vessel (see CEREBRAL EMBOLISM) it is referred to as embolic stroke. Wake-up stroke refers to ischemic stroke occurring during sleep while cryptogenic stroke refers to ischemic stroke of unknown origin.	0	2.82	2	0
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	0	3.65	9	0
Ischemia A hypoperfusion of the BLOOD through an organ or tissue caused by a PATHOLOGIC CONSTRICTION or obstruction of its BLOOD VESSELS, or an absence of BLOOD CIRCULATION.	0	9.48	24	0
Reperfusion Injury Adverse functional, metabolic, or structural changes in tissues that result from the restoration of blood flow to the tissue (REPERFUSION) following ISCHEMIA.	0	9.3	16	0
Infarction, Middle Cerebral Artery NECROSIS occurring in the MIDDLE CEREBRAL ARTERY distribution system which brings blood to the entire lateral aspects of each CEREBRAL HEMISPHERE. Clinical signs include impaired cognition; APHASIA; AGRAPHIA; weak and numbness in the face and arms, contralaterally or bilaterally depending on the infarction.	0	3.43	7	0
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	0	9.09	37	5
Colitis Gravis [description not available]	0	7.69	14	1
Nasopharyngitis Inflammation of the NASOPHARYNX, usually including its mucosa, related lymphoid structure, and glands.	0	4.72	1	1
Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.	0	7.69	14	1
Astrocytoma, Grade IV [description not available]	0	9.35	47	8
Glioblastoma A malignant form of astrocytoma histologically characterized by pleomorphism of cells, nuclear atypia, microhemorrhage, and necrosis. They may arise in any region of the central nervous system, with a predilection for the cerebral hemispheres, basal ganglia, and commissural pathways. Clinical presentation most frequently occurs in the fifth or sixth decade of life with focal neurologic signs or seizures.	0	9.35	47	8
Apoplexy [description not available]	0	7.3	14	1
Stroke A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810)	0	7.3	14	1
MS (Multiple Sclerosis) [description not available]	0	8.66	11	4
Multiple Sclerosis An autoimmune disorder mainly affecting young adults and characterized by destruction of myelin in the central nervous system. Pathologic findings include multiple sharply demarcated areas of demyelination throughout the white matter of the central nervous system. Clinical manifestations include visual loss, extra-ocular movement disorders, paresthesias, loss of sensation, weakness, dysarthria, spasticity, ataxia, and bladder dysfunction. The usual pattern is one of recurrent attacks followed by partial recovery (see MULTIPLE SCLEROSIS, RELAPSING-REMITTING), but acute fulminating and chronic progressive forms (see MULTIPLE SCLEROSIS, CHRONIC PROGRESSIVE) also occur. (Adams et al., Principles of Neurology, 6th ed, p903)	0	8.66	11	4
Kidney Failure A severe irreversible decline in the ability of kidneys to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism.	0	8.5	7	6
Albuminuria The presence of albumin in the urine, an indicator of KIDNEY DISEASES.	0	8.47	6	5
Renal Insufficiency Conditions in which the KIDNEYS perform below the normal level in the ability to remove wastes, concentrate URINE, and maintain ELECTROLYTE BALANCE; BLOOD PRESSURE; and CALCIUM metabolism. Renal insufficiency can be classified by the degree of kidney damage (as measured by the level of PROTEINURIA) and reduction in GLOMERULAR FILTRATION RATE.	0	8.5	7	6
Critical Illness A disease or state in which death is possible or imminent.	0	11.49	25	6
Hepatocellular Carcinoma [description not available]	0	11.94	71	1
Cancer of Liver [description not available]	0	10.68	93	4
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	0	6.94	71	1
Liver Neoplasms Tumors or cancer of the LIVER.	0	10.68	93	4
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	0	20.98	314	29
Diabetes Mellitus, Adult-Onset [description not available]	0	20.66	239	92
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	0	20.66	239	92
Hallucination of Body Sensation [description not available]	0	2.66	3	0
Dementia Praecox [description not available]	0	8.68	35	1
Hallucinations Subjectively experienced sensations in the absence of an appropriate stimulus, but which are regarded by the individual as real. They may be of organic origin or associated with MENTAL DISORDERS.	0	2.66	3	0
Schizophrenia A severe emotional disorder of psychotic depth characteristically marked by a retreat from reality with delusion formation, HALLUCINATIONS, emotional disharmony, and regressive behavior.	0	8.68	35	1
Cancer of Prostate [description not available]	0	4.46	22	0
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	0	4.46	22	0
Amino Acid Metabolism Disorders, Inborn [description not available]	0	12.59	301	1
Choledocholithiasis Presence or formation of GALLSTONES in the COMMON BILE DUCT.	0	3.8	1	1
Fasting Hypoglycemia HYPOGLYCEMIA expressed in the postabsorptive state, after prolonged FASTING, or an overnight fast.	0	9.59	25	7
Hypoglycemia A syndrome of abnormally low BLOOD GLUCOSE level. Clinical hypoglycemia has diverse etiologies. Severe hypoglycemia eventually lead to glucose deprivation of the CENTRAL NERVOUS SYSTEM resulting in HUNGER; SWEATING; PARESTHESIA; impaired mental function; SEIZURES; COMA; and even DEATH.	0	14.59	25	7
Disease Resistance The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants.	0	9.59	8	0
Amyloid Deposits [description not available]	0	2.54	2	0
Encephalopathy, Subacute Spongiform, Gerstmann-Straussler Type [description not available]	0	2.82	2	0
Amyloidosis A group of sporadic, familial and/or inherited, degenerative, and infectious disease processes, linked by the common theme of abnormal protein folding and deposition of AMYLOID. As the amyloid deposits enlarge they displace normal tissue structures, causing disruption of function. Various signs and symptoms depend on the location and size of the deposits.	0	3.27	6	0
Cardiovascular Stroke [description not available]	0	7.01	11	1
Myocardial Infarction NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).	0	7.01	11	1
Sarcopenia Progressive decline in muscle mass due to aging which results in decreased functional capacity of muscles.	0	8.56	7	5
Insulin Sensitivity [description not available]	0	15.13	68	15
Insulin Resistance Diminished effectiveness of INSULIN in lowering blood sugar levels: requiring the use of 200 units or more of insulin per day to prevent HYPERGLYCEMIA or KETOSIS.	0	20.13	68	15
Canine Diseases [description not available]	0	3.25	6	0
Bowel Diseases, Inflammatory [description not available]	0	7.22	13	0
Inflammatory Bowel Diseases Chronic, non-specific inflammation of the GASTROINTESTINAL TRACT. Etiology may be genetic or environmental. This term includes CROHN DISEASE and ULCERATIVE COLITIS.	0	7.22	13	0
Cirrhosis [description not available]	0	3.67	9	0
Cirrhosis, Liver [description not available]	0	13.93	83	12
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	0	3.67	9	0
Liver Cirrhosis Liver disease in which the normal microcirculation, the gross vascular anatomy, and the hepatic architecture have been variably destroyed and altered with fibrous septa surrounding regenerated or regenerating parenchymal nodules.	0	13.93	83	12
Malnourishment [description not available]	0	4.38	4	1
Cockayne-Touraine Disease [description not available]	0	2.41	1	0
Epidermolysis Bullosa Dystrophica Form of epidermolysis bullosa characterized by atrophy of blistered areas, severe scarring, and nail changes. It is most often present at birth or in early infancy and occurs in both autosomal dominant and recessive forms. All forms of dystrophic epidermolysis bullosa result from mutations in COLLAGEN TYPE VII, a major component fibrils of BASEMENT MEMBRANE and EPIDERMIS.	0	2.41	1	0
Malnutrition An imbalanced nutritional status resulting from insufficient intake of nutrients to meet normal physiological requirement.	0	4.38	4	1
Vascular Calcification Deposition of calcium into the blood vessel structures. Excessive calcification of the vessels are associated with ATHEROSCLEROTIC PLAQUES formation particularly after MYOCARDIAL INFARCTION (see MONCKEBERG MEDIAL CALCIFIC SCLEROSIS) and chronic kidney diseases which in turn increase VASCULAR STIFFNESS.	0	2.59	2	0
Arteriosclerosis, Coronary [description not available]	0	7.23	13	3
Coronary Artery Disease Pathological processes of CORONARY ARTERIES that may derive from a congenital abnormality, atherosclerotic, or non-atherosclerotic cause.	0	7.23	13	3
Disease Exacerbation [description not available]	0	11.8	40	4
Infections, Plasmodium [description not available]	0	3.61	9	0
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	0	3.61	9	0
HIV Coinfection [description not available]	0	4.64	24	0
HIV Infections Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).	0	4.64	24	0
Retinal Degeneration A retrogressive pathological change in the retina, focal or generalized, caused by genetic defects, inflammation, trauma, vascular disease, or aging. Degeneration affecting predominantly the macula lutea of the retina is MACULAR DEGENERATION. (Newell, Ophthalmology: Principles and Concepts, 7th ed, p304)	0	4.45	5	1
Birth Weight The mass or quantity of heaviness of an individual at BIRTH. It is expressed by units of pounds or kilograms.	0	9.85	65	4
Masked Hypertension Phenomenon where increased BLOOD PRESSURE readings taken in non-clinical settings (e.g., HOME BLOOD PRESSURE MONITORING) do not replicate in clinical settings.	0	2.41	1	0
Benign Neoplasms, Brain [description not available]	0	11.54	105	12
Carcinoma, Epidermoid [description not available]	0	9.35	33	4
Cancer of Mouth [description not available]	0	4.66	27	0
Brain Neoplasms Neoplasms of the intracranial components of the central nervous system, including the cerebral hemispheres, basal ganglia, hypothalamus, thalamus, brain stem, and cerebellum. Brain neoplasms are subdivided into primary (originating from brain tissue) and secondary (i.e., metastatic) forms. Primary neoplasms are subdivided into benign and malignant forms. In general, brain tumors may also be classified by age of onset, histologic type, or presenting location in the brain.	0	11.54	105	12
Carcinoma, Squamous Cell A carcinoma derived from stratified SQUAMOUS EPITHELIAL CELLS. It may also occur in sites where glandular or columnar epithelium is normally present. (From Stedman, 25th ed)	0	9.35	33	4
Mouth Neoplasms Tumors or cancer of the MOUTH.	0	4.66	27	0
Encephalopathy, Toxic [description not available]	0	4.13	11	0
Idiopathic Parkinson Disease [description not available]	0	9.78	30	5
Neuroblastoma A common neoplasm of early childhood arising from neural crest cells in the sympathetic nervous system, and characterized by diverse clinical behavior, ranging from spontaneous remission to rapid metastatic progression and death. This tumor is the most common intraabdominal malignancy of childhood, but it may also arise from thorax, neck, or rarely occur in the central nervous system. Histologic features include uniform round cells with hyperchromatic nuclei arranged in nests and separated by fibrovascular septa. Neuroblastomas may be associated with the opsoclonus-myoclonus syndrome. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2099-2101; Curr Opin Oncol 1998 Jan;10(1):43-51)	0	5.46	25	0
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)	0	9.78	30	5
Leucocythaemia [description not available]	0	4.25	19	0
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	0	4.25	19	0
Local Neoplasm Recurrence [description not available]	0	7.85	16	3
Infections, Pseudomonas [description not available]	0	2.91	4	0
Pseudomonas Infections Infections with bacteria of the genus PSEUDOMONAS.	0	2.91	4	0
Cancer of Endometrium [description not available]	0	3.03	4	0
Endometrial Neoplasms Tumors or cancer of ENDOMETRIUM, the mucous lining of the UTERUS. These neoplasms can be benign or malignant. Their classification and grading are based on the various cell types and the percent of undifferentiated cells.	0	3.03	4	0
Carcinoma, Non-Small Cell Lung [description not available]	0	4.44	7	0
Cancer of Lung [description not available]	0	6.44	42	0
Carcinoma, Non-Small-Cell Lung A heterogeneous aggregate of at least three distinct histological types of lung cancer, including SQUAMOUS CELL CARCINOMA; ADENOCARCINOMA; and LARGE CELL CARCINOMA. They are dealt with collectively because of their shared treatment strategy.	0	4.44	7	0
Lung Neoplasms Tumors or cancer of the LUNG.	0	6.44	42	0
4 Hydroxyphenylpyruvate Dioxygenase Deficiency Disease [description not available]	0	7.92	30	1
Brain Diseases, Metabolic, Familial [description not available]	0	2.96	4	0
Tyrosinemias A group of disorders which have in common elevations of tyrosine in the blood and urine secondary to an enzyme deficiency. Type I tyrosinemia features episodic weakness, self-mutilation, hepatic necrosis, renal tubular injury, and seizures and is caused by a deficiency of the enzyme fumarylacetoacetase. Type II tyrosinemia features INTELLECTUAL DISABILITY, painful corneal ulcers, and keratoses of the palms and plantar surfaces and is caused by a deficiency of the enzyme TYROSINE TRANSAMINASE. Type III tyrosinemia features INTELLECTUAL DISABILITY and is caused by a deficiency of the enzyme 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE. (Menkes, Textbook of Child Neurology, 5th ed, pp42-3)	0	7.92	30	1
Cerebral Malaria [description not available]	0	2.76	3	0
Electrocardiogram QT Prolonged [description not available]	0	5.28	6	2
Long QT Syndrome A condition that is characterized by episodes of fainting (SYNCOPE) and varying degree of ventricular arrhythmia as indicated by the prolonged QT interval. The inherited forms are caused by mutation of genes encoding cardiac ion channel proteins. The two major forms are ROMANO-WARD SYNDROME and JERVELL-LANGE NIELSEN SYNDROME.	0	5.28	6	2
Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.	0	13.55	30	11
Morbid Obesity [description not available]	0	2.41	1	0
Obesity, Morbid The condition of weighing two, three, or more times the ideal weight, so called because it is associated with many serious and life-threatening disorders. In the BODY MASS INDEX, morbid obesity is defined as having a BMI greater than 40.0 kg/m2.	0	2.41	1	0
Parodontosis [description not available]	0	3.84	4	0
Pericementitis [description not available]	0	4.21	6	0
Gingivitis Inflammation of gum tissue (GINGIVA) without loss of connective tissue.	0	2.45	2	0
Periodontal Diseases Pathological processes involving the PERIODONTIUM including the gum (GINGIVA), the alveolar bone (ALVEOLAR PROCESS), the DENTAL CEMENTUM, and the PERIODONTAL LIGAMENT.	0	3.84	4	0
Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology)	0	4.21	6	0
Cognitive Decline [description not available]	0	6.15	9	0
Cognitive Dysfunction Diminished or impaired mental and/or intellectual function.	0	6.15	9	0
Nephrotic Syndrome A condition characterized by severe PROTEINURIA, greater than 3.5 g/day in an average adult. The substantial loss of protein in the urine results in complications such as HYPOPROTEINEMIA; generalized EDEMA; HYPERTENSION; and HYPERLIPIDEMIAS. Diseases associated with nephrotic syndrome generally cause chronic kidney dysfunction.	0	2.4	2	0
Adjuvant Arthritis [description not available]	0	3.4	7	0
Rheumatoid Arthritis [description not available]	0	6.69	21	1
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.	0	6.69	21	1
Blood Pressure, High [description not available]	0	11.9	34	5
Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.	0	11.9	34	5
Action Tremor [description not available]	0	3.79	11	0
Tremor Cyclical movement of a body part that can represent either a physiologic process or a manifestation of disease. Intention or action tremor, a common manifestation of CEREBELLAR DISEASES, is aggravated by movement. In contrast, resting tremor is maximal when there is no attempt at voluntary movement, and occurs as a relatively frequent manifestation of PARKINSON DISEASE.	0	8.79	11	0
Deficiency, Vitamin D [description not available]	0	3.98	13	0
Vitamin D Deficiency A nutritional condition produced by a deficiency of VITAMIN D in the diet, insufficient production of vitamin D in the skin, inadequate absorption of vitamin D from the diet, or abnormal conversion of vitamin D to its bioactive metabolites. It is manifested clinically as RICKETS in children and OSTEOMALACIA in adults. (From Cecil Textbook of Medicine, 19th ed, p1406)	0	8.98	13	0
Anterior Choroidal Artery Infarction [description not available]	0	3.96	11	0
Cerebral Infarction The formation of an area of NECROSIS in the CEREBRUM caused by an insufficiency of arterial or venous blood flow. Infarcts of the cerebrum are generally classified by hemisphere (i.e., left vs. right), lobe (e.g., frontal lobe infarction), arterial distribution (e.g., INFARCTION, ANTERIOR CEREBRAL ARTERY), and etiology (e.g., embolic infarction).	0	8.96	11	0
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	0	7.11	19	5
Biliary Cirrhosis [description not available]	0	3.33	4	0
Liver Cirrhosis, Biliary FIBROSIS of the hepatic parenchyma due to obstruction of BILE flow (CHOLESTASIS) in the intrahepatic or extrahepatic bile ducts (BILE DUCTS, INTRAHEPATIC; BILE DUCTS, EXTRAHEPATIC). Primary biliary cholangitis involves the destruction of small intra-hepatic bile ducts and decreased bile secretion. Secondary biliary cholangitis is produced by prolonged obstruction of large intrahepatic or extrahepatic bile ducts from a variety of causes.	0	3.33	4	0
Hyperlipemia [description not available]	0	3.71	10	0
Diseases, Metabolic [description not available]	0	6.52	34	0
Hyperlipidemias Conditions with excess LIPIDS in the blood.	0	3.71	10	0
Metabolic Diseases Generic term for diseases caused by an abnormal metabolic process. It can be congenital due to inherited enzyme abnormality (METABOLISM, INBORN ERRORS) or acquired due to disease of an endocrine organ or failure of a metabolically important organ such as the liver. (Stedman, 26th ed)	0	6.52	34	0
Hyperuricemia Excessive URIC ACID or urate in blood as defined by its solubility in plasma at 37 degrees C; greater than 0.42mmol per liter (7.0mg/dL) in men or 0.36mmol per liter (6.0mg/dL) in women. This condition is caused by overproduction of uric acid or impaired renal clearance. Hyperuricemia can be acquired, drug-induced or genetically determined (LESCH-NYHAN SYNDROME). It is associated with HYPERTENSION and GOUT.	0	2.41	1	0
Chemical and Drug Induced Liver Injury, Chronic Liver disease lasting six months or more, caused by an adverse effect of a drug or chemical. The adverse effect may be caused by drugs, drug metabolites, chemicals from the environment, or an idiosyncratic response.	0	2.6	1	0
Depression, Involutional Form of depression in those MIDDLE AGE with feelings of ANXIETY.	0	4.55	5	1
Depressive Disorder, Major Disorder in which five (or more) of the following symptoms have been present during the same 2-week period and represent a change from previous functioning; at least one of the symptoms is either (1) depressed mood or (2) loss of interest or pleasure. Symptoms include: depressed mood most of the day, nearly every daily; markedly diminished interest or pleasure in activities most of the day, nearly every day; significant weight loss when not dieting or weight gain; Insomnia or hypersomnia nearly every day; psychomotor agitation or retardation nearly every day; fatigue or loss of energy nearly every day; feelings of worthlessness or excessive or inappropriate guilt; diminished ability to think or concentrate, or indecisiveness, nearly every day; or recurrent thoughts of death, recurrent suicidal ideation without a specific plan, or a suicide attempt. (DSM-5)	0	4.55	5	1
Adenoma, Prostatic [description not available]	0	2.4	2	0
Prostatic Hyperplasia Increase in constituent cells in the PROSTATE, leading to enlargement of the organ (hypertrophy) and adverse impact on the lower urinary tract function. This can be caused by increased rate of cell proliferation, reduced rate of cell death, or both.	0	2.4	2	0
Bone Loss, Perimenopausal [description not available]	0	2.6	1	0
Osteoporosis, Postmenopausal Metabolic disorder associated with fractures of the femoral neck, vertebrae, and distal forearm. It occurs commonly in women within 15-20 years after menopause, and is caused by factors associated with menopause including estrogen deficiency.	0	2.6	1	0
Astheno Teratozoospermia [description not available]	0	2.6	1	0
Glial Cell Tumors [description not available]	0	8.62	58	3
Glioma Benign and malignant central nervous system neoplasms derived from glial cells (i.e., astrocytes, oligodendrocytes, and ependymocytes). Astrocytes may give rise to astrocytomas (ASTROCYTOMA) or glioblastoma multiforme (see GLIOBLASTOMA). Oligodendrocytes give rise to oligodendrogliomas (OLIGODENDROGLIOMA) and ependymocytes may undergo transformation to become EPENDYMOMA; CHOROID PLEXUS NEOPLASMS; or colloid cysts of the third ventricle. (From Escourolle et al., Manual of Basic Neuropathology, 2nd ed, p21)	0	8.62	58	3
Acetonemia [description not available]	0	2.65	3	0
Caprine Diseases [description not available]	0	2.6	1	0
Inappropriate GH Secretion Syndrome (Acromegaly) [description not available]	0	2.39	2	0
Acromegaly A condition caused by prolonged exposure to excessive HUMAN GROWTH HORMONE in adults. It is characterized by bony enlargement of the FACE; lower jaw (PROGNATHISM); hands; FEET; HEAD; and THORAX. The most common etiology is a GROWTH HORMONE-SECRETING PITUITARY ADENOMA. (From Joynt, Clinical Neurology, 1992, Ch36, pp79-80)	0	2.39	2	0
Cardiac Failure [description not available]	0	8.55	18	2
Heart Failure A heterogeneous condition in which the heart is unable to pump out sufficient blood to meet the metabolic need of the body. Heart failure can be caused by structural defects, functional abnormalities (VENTRICULAR DYSFUNCTION), or a sudden overload beyond its capacity. Chronic heart failure is more common than acute heart failure which results from sudden insult to cardiac function, such as MYOCARDIAL INFARCTION.	0	8.55	18	2
Gestational Hypertension [description not available]	0	2.6	1	0
Edema-Proteinuria-Hypertension Gestosis [description not available]	0	3.08	5	0
Pre-Eclampsia A complication of PREGNANCY, characterized by a complex of symptoms including maternal HYPERTENSION and PROTEINURIA with or without pathological EDEMA. Symptoms may range between mild and severe. Pre-eclampsia usually occurs after the 20th week of gestation, but may develop before this time in the presence of trophoblastic disease.	0	3.08	5	0
Hypertension, Pregnancy-Induced A condition in pregnant women with elevated systolic (	0	2.6	1	0
Autism Spectrum Disorder Wide continuum of associated cognitive and neurobehavioral disorders, including, but not limited to, three core-defining features: impairments in socialization, impairments in verbal and nonverbal communication, and restricted and repetitive patterns of behaviors. (from DSM-V)	0	2.63	2	0
Dyskinesia Syndromes [description not available]	0	4.96	15	0
Movement Disorders Syndromes which feature DYSKINESIAS as a cardinal manifestation of the disease process. Included in this category are degenerative, hereditary, post-infectious, medication-induced, post-inflammatory, and post-traumatic conditions.	0	4.96	15	0
Degenerative Diseases, Central Nervous System [description not available]	0	4.23	6	0
Neurodegenerative Diseases Hereditary and sporadic conditions which are characterized by progressive nervous system dysfunction. These disorders are often associated with atrophy of the affected central or peripheral nervous system structures.	0	4.23	6	0
Blood Poisoning [description not available]	0	7.71	23	1
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	0	12.71	23	1
Diabetes Mellitus, Gestational [description not available]	0	2.71	3	0
Diabetes, Gestational Diabetes mellitus induced by PREGNANCY but resolved at the end of pregnancy. It does not include previously diagnosed diabetics who become pregnant (PREGNANCY IN DIABETICS). Gestational diabetes usually develops in late pregnancy when insulin antagonistic hormones peaks leading to INSULIN RESISTANCE; GLUCOSE INTOLERANCE; and HYPERGLYCEMIA.	0	2.71	3	0
Experimental Lung Inflammation Inflammation of any part, segment or lobe, of the lung parenchyma.	0	3.12	5	0
Acute Respiratory Distress Syndrome [description not available]	0	9.04	5	0
Pneumonia Infection of the lung often accompanied by inflammation.	0	3.12	5	0
Respiratory Distress Syndrome A syndrome characterized by progressive life-threatening RESPIRATORY INSUFFICIENCY in the absence of known LUNG DISEASES, usually following a systemic insult such as surgery or major TRAUMA.	0	9.04	5	0
Alcoholic Cirrhosis [description not available]	0	6.46	9	2
Liver Cirrhosis, Alcoholic FIBROSIS of the hepatic parenchyma due to chronic excess ALCOHOL DRINKING.	0	6.46	9	2
Alloxan Diabetes [description not available]	0	6.35	63	0
Hydramnios [description not available]	0	2.53	2	0
Colorectal Cancer [description not available]	0	9.13	10	3
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	0	9.13	10	3
DDPAC [description not available]	0	2.6	1	0
ALS - Amyotrophic Lateral Sclerosis [description not available]	0	3.44	7	0
Amyotrophic Lateral Sclerosis A degenerative disorder affecting upper MOTOR NEURONS in the brain and lower motor neurons in the brain stem and SPINAL CORD. Disease onset is usually after the age of 50 and the process is usually fatal within 3 to 6 years. Clinical manifestations include progressive weakness, atrophy, FASCICULATION, hyperreflexia, DYSARTHRIA, dysphagia, and eventual paralysis of respiratory function. Pathologic features include the replacement of motor neurons with fibrous ASTROCYTES and atrophy of anterior SPINAL NERVE ROOTS and corticospinal tracts. (From Adams et al., Principles of Neurology, 6th ed, pp1089-94)	0	3.44	7	0
Frontotemporal Dementia The most common clinical form of FRONTOTEMPORAL LOBAR DEGENERATION, this dementia presents with personality and behavioral changes often associated with disinhibition, apathy, and lack of insight.	0	2.6	1	0
Colitis Inflammation of the COLON section of the large intestine (INTESTINE, LARGE), usually with symptoms such as DIARRHEA (often with blood and mucus), ABDOMINAL PAIN, and FEVER.	0	3.62	9	0
Weight Gain Increase in BODY WEIGHT over existing weight.	0	10.41	30	4
Adenocarcinoma Of Kidney [description not available]	0	3.01	4	0
Cancer of Kidney [description not available]	0	3.5	8	0
Carcinoma, Renal Cell A heterogeneous group of sporadic or hereditary carcinoma derived from cells of the KIDNEYS. There are several subtypes including the clear cells, the papillary, the chromophobe, the collecting duct, the spindle cells (sarcomatoid), or mixed cell-type carcinoma.	0	3.01	4	0
Kidney Neoplasms Tumors or cancers of the KIDNEY.	0	3.5	8	0
Child Mental Disorders [description not available]	0	2.6	1	0
Neurodevelopmental Disorders These are a group of conditions with onset in the developmental period. The disorders typically manifest early in development, often before the child enters grade school, and are characterized by developmental deficits that produce impairments of personal, social, academic, or occupational functioning. (From DSM-5).	0	7.6	1	0
Cancer of Head [description not available]	0	10.43	19	5
Head and Neck Neoplasms Soft tissue tumors or cancer arising from the mucosal surfaces of the LIP; oral cavity; PHARYNX; LARYNX; and cervical esophagus. Other sites included are the NOSE and PARANASAL SINUSES; SALIVARY GLANDS; THYROID GLAND and PARATHYROID GLANDS; and MELANOMA and non-melanoma skin cancers of the head and neck. (from Holland et al., Cancer Medicine, 4th ed, p1651)	0	10.43	19	5
ACL Injuries [description not available]	0	2.6	1	0
Arthritis, Degenerative [description not available]	0	4.44	8	0
Osteoarthritis A progressive, degenerative joint disease, the most common form of arthritis, especially in older persons. The disease is thought to result not from the aging process but from biochemical changes and biomechanical stresses affecting articular cartilage. In the foreign literature it is often called osteoarthrosis deformans.	0	4.44	8	0
Inborn Errors of Metabolism [description not available]	0	11.4	99	1
Metabolism, Inborn Errors Errors in metabolic processes resulting from inborn genetic mutations that are inherited or acquired in utero.	0	11.4	99	1
Acute Edematous Pancreatitis [description not available]	0	11.76	29	10
Colicky Pain [description not available]	0	12.73	20	14
Pancreatitis INFLAMMATION of the PANCREAS. Pancreatitis is classified as acute unless there are computed tomographic or endoscopic retrograde cholangiopancreatographic findings of CHRONIC PANCREATITIS (International Symposium on Acute Pancreatitis, Atlanta, 1992). The two most common forms of acute pancreatitis are ALCOHOLIC PANCREATITIS and gallstone pancreatitis.	0	11.76	29	10
Abdominal Pain Sensation of discomfort, distress, or agony in the abdominal region.	0	12.73	20	14
ANS (Autonomic Nervous System) Diseases [description not available]	0	4.33	2	0
Bacterial Overgrowth Syndrome [description not available]	0	4.24	2	0
Celiac Sprue [description not available]	0	6.06	11	0
Asymmetric Diabetic Proximal Motor Neuropathy [description not available]	0	4.76	4	0
Pancreatic Insufficiency [description not available]	0	4.92	2	0
Celiac Disease A malabsorption syndrome that is precipitated by the ingestion of foods containing GLUTEN, such as wheat, rye, and barley. It is characterized by INFLAMMATION of the SMALL INTESTINE, loss of MICROVILLI structure, failed INTESTINAL ABSORPTION, and MALNUTRITION.	0	11.06	11	0
Diabetic Neuropathies Peripheral, autonomic, and cranial nerve disorders that are associated with DIABETES MELLITUS. These conditions usually result from diabetic microvascular injury involving small blood vessels that supply nerves (VASA NERVORUM). Relatively common conditions which may be associated with diabetic neuropathy include third nerve palsy (see OCULOMOTOR NERVE DISEASES); MONONEUROPATHY; mononeuropathy multiplex; diabetic amyotrophy; a painful POLYNEUROPATHY; autonomic neuropathy; and thoracoabdominal neuropathy. (From Adams et al., Principles of Neurology, 6th ed, p1325)	0	4.76	4	0
Exocrine Pancreatic Insufficiency A malabsorption condition resulting from greater than 10% reduction in the secretion of pancreatic digestive enzymes (LIPASE; PROTEASES; and AMYLASE) by the EXOCRINE PANCREAS into the DUODENUM. This condition is often associated with CYSTIC FIBROSIS and with chronic PANCREATITIS.	0	4.92	2	0
Adenocarcinoma, Basal Cell [description not available]	0	10.34	38	3
Experimental Mammary Neoplasms [description not available]	0	4.52	25	0
Adenocarcinoma A malignant epithelial tumor with a glandular organization.	0	10.34	38	3
Sleepiness Compelling urge to sleep.	0	10.62	9	6
Ochronosis The yellowish discoloration of connective tissue due to deposition of HOMOGENTISIC ACID (a brown-black pigment). This is due to defects in the metabolism of PHENYLALANINE and TYROSINE. Ochronosis occurs in ALKAPTONURIA, but has also been associated with exposure to certain chemicals (e.g., PHENOL, trinitrophenol, BENZENE DERIVATIVES).	0	4.94	6	0
Behavior Disorders [description not available]	0	8.89	28	2
Mental Disorders Psychiatric illness or diseases manifested by breakdowns in the adaptational process expressed primarily as abnormalities of thought, feeling, and behavior producing either distress or impairment of function.	0	8.89	28	2
Bechterew Syndrome [description not available]	0	2.63	2	0
Arthritis, Post-Infectious [description not available]	0	2.63	2	0
Arthritis, Reactive An aseptic, inflammatory arthritis developing secondary to a primary extra-articular infection, most typically of the GASTROINTESTINAL TRACT or UROGENITAL SYSTEM. The initiating trigger pathogens are usually SHIGELLA; SALMONELLA; YERSINIA; CAMPYLOBACTER; or CHLAMYDIA TRACHOMATIS. Reactive arthritis is strongly associated with HLA-B27 ANTIGEN.	0	2.63	2	0
Spondylarthropathies Heterogeneous group of arthritic diseases sharing clinical and radiologic features. They are associated with the HLA-B27 ANTIGEN and some with a triggering infection. Most involve the axial joints in the SPINE, particularly the SACROILIAC JOINT, but can also involve asymmetric peripheral joints. Subsets include ANKYLOSING SPONDYLITIS; REACTIVE ARTHRITIS; PSORIATIC ARTHRITIS; and others.	0	2.63	2	0
Varices [description not available]	0	2.21	1	0
Varicose Veins Enlarged and tortuous VEINS.	0	2.21	1	0
Arsenic Encephalopathy [description not available]	0	3.12	1	0
Dermatoses [description not available]	0	5.04	6	0
Skin Diseases Diseases involving the DERMIS or EPIDERMIS.	0	5.04	6	0
Nervous System Disorders [description not available]	0	7.02	30	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	0	7.02	30	0
Complications, Pregnancy [description not available]	0	12.36	158	2
Suicidal Ideation A risk factor for suicide attempts and completions, it is the most common of all suicidal behavior, but only a minority of ideators engage in overt self-harm.	0	2.25	1	0
Chronic Illness [description not available]	0	9.96	47	2
Keratoconjunctivitis Sicca Drying and inflammation of the conjunctiva as a result of insufficient lacrimal secretion. When found in association with XEROSTOMIA and polyarthritis, it is called SJOGREN'S SYNDROME.	0	2.89	3	0
Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2).	0	9.96	47	2
Arterial Inflammation [description not available]	0	2.31	1	0
Kawasaki Disease [description not available]	0	2.31	1	0
Mucocutaneous Lymph Node Syndrome An acute, febrile, mucocutaneous condition accompanied by swelling of cervical lymph nodes in infants and young children. The principal symptoms are fever, congestion of the ocular conjunctivae, reddening of the lips and oral cavity, protuberance of tongue papillae, and edema or erythema of the extremities.	0	2.31	1	0
Ewing Sarcoma [description not available]	0	2.25	1	0
Acute Myelogenous Leukemia [description not available]	0	5.31	13	1
Sarcoma, Ewing A malignant tumor of the bone which always arises in the medullary tissue, occurring more often in cylindrical bones. The tumor occurs usually before the age of 20, about twice as frequently in males as in females.	0	2.25	1	0
Leukemia, Myeloid, Acute Clonal expansion of myeloid blasts in bone marrow, blood, and other tissue. Myeloid leukemias develop from changes in cells that normally produce NEUTROPHILS; BASOPHILS; EOSINOPHILS; and MONOCYTES.	0	5.31	13	1
Infant, Premature, Diseases Diseases that occur in PREMATURE INFANTS.	0	6.44	10	1
Dacryoadenitis [description not available]	0	3.64	1	1
Anti-MuSK Myasthenia Gravis [description not available]	0	5.68	7	1
Myasthenia Gravis A disorder of neuromuscular transmission characterized by fatigable weakness of cranial and skeletal muscles with elevated titers of ACETYLCHOLINE RECEPTORS or muscle-specific receptor tyrosine kinase (MuSK) autoantibodies. Clinical manifestations may include ocular muscle weakness (fluctuating, asymmetric, external ophthalmoplegia; diplopia; ptosis; and weakness of eye closure) and extraocular fatigable weakness of facial, bulbar, respiratory, and proximal limb muscles. The disease may remain limited to the ocular muscles (ocular myasthenia). THYMOMA is commonly associated with this condition.	0	5.68	7	1
Amyloid Neuropathy Type 1 [description not available]	0	3.89	4	0
Amyloid Neuropathies, Familial Inherited disorders of the peripheral nervous system associated with the deposition of AMYLOID in nerve tissue. The different clinical types based on symptoms correspond to the presence of a variety of mutations in several different proteins including transthyretin (PREALBUMIN); APOLIPOPROTEIN A-I; and GELSOLIN.	0	3.89	4	0
Genetic Predisposition [description not available]	0	5.78	32	0
Autoimmune Disease [description not available]	0	4.32	7	0
Autoimmune Diseases Disorders that are characterized by the production of antibodies that react with host tissues or immune effector cells that are autoreactive to endogenous peptides.	0	4.32	7	0
Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years.	0	2.87	3	0
Hyperglycemia, Postprandial Abnormally high BLOOD GLUCOSE level after a meal.	0	21.26	185	14
Hyperglycemia Abnormally high BLOOD GLUCOSE level.	0	21.26	185	14
Flushing A transient reddening of the face that may be due to fever, certain drugs, exertion, or stress.	0	4.87	2	1
Nausea An unpleasant sensation in the stomach usually accompanied by the urge to vomit. Common causes are early pregnancy, sea and motion sickness, emotional stress, intense pain, food poisoning, and various enteroviruses.	0	7.09	7	5
Recrudescence [description not available]	0	8.73	15	3
Bacterial Disease [description not available]	0	3.86	12	0
Amnionitis [description not available]	0	2.25	1	0
Labor, Premature [description not available]	0	2.79	3	0
Bacterial Infections Infections by bacteria, general or unspecified.	0	3.86	12	0
Chorioamnionitis INFLAMMATION of the placental membranes (CHORION; AMNION) and connected tissues such as fetal BLOOD VESSELS and UMBILICAL CORD. It is often associated with intrauterine ascending infections during PREGNANCY.	0	2.25	1	0
Carcinoma, Lewis Lung A carcinoma discovered by Dr. Margaret R. Lewis of the Wistar Institute in 1951. This tumor originated spontaneously as a carcinoma of the lung of a C57BL mouse. The tumor does not appear to be grossly hemorrhagic and the majority of the tumor tissue is a semifirm homogeneous mass. (From Cancer Chemother Rep 2 1972 Nov;(3)1:325) It is also called 3LL and LLC and is used as a transplantable malignancy.	0	2.46	2	0
Metastase [description not available]	0	8.76	51	1
Neoplasm Metastasis The transfer of a neoplasm from one organ or part of the body to another remote from the primary site.	0	8.76	51	1
Experimental Hepatoma [description not available]	0	4.84	13	0
Acariasis [description not available]	0	2.25	1	0
Osteoarthritis of Knee [description not available]	0	2.85	3	0
Osteoarthritis, Knee Noninflammatory degenerative disease of the knee joint consisting of three large categories: conditions that block normal synchronous movement, conditions that produce abnormal pathways of motion, and conditions that cause stress concentration resulting in changes to articular cartilage. (Crenshaw, Campbell's Operative Orthopaedics, 8th ed, p2019)	0	2.85	3	0
Anoxemia [description not available]	0	5.79	22	0
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	0	10.79	22	0
Extravascular Hemolysis [description not available]	0	4.89	35	0
Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity.	0	9.89	35	0
Single Functioning Kidney [description not available]	0	2.25	1	0
Gestational Weight Gain Increase in body weight of the mother during the course of her PREGNANCY.	0	2.25	1	0
Fetal Growth Restriction [description not available]	0	5.63	18	1
Abnormality, Heart [description not available]	0	6.7	31	0
Fetal Growth Retardation Failure of a FETUS to attain expected GROWTH.	0	5.63	18	1
Heart Defects, Congenital Developmental abnormalities involving structures of the heart. These defects are present at birth but may be discovered later in life.	0	6.7	31	0
Allergy, Food [description not available]	0	3.87	2	1
Food Hypersensitivity Gastrointestinal disturbances, skin eruptions, or shock due to allergic reactions to allergens in food.	0	3.87	2	1
Diabetes Mellitus A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE.	0	10.84	49	5
Cataleptic Attacks [description not available]	0	5.93	3	1
Prodromal Characteristics [description not available]	0	2.58	2	0
Bone Fractures [description not available]	0	5.29	4	0
Bone Loss, Osteoclastic [description not available]	0	5	15	0
Fractures, Bone Breaks in bones.	0	5.29	4	0
Breast Cancer [description not available]	0	7.88	51	0
Breast Neoplasms Tumors or cancer of the human BREAST.	0	7.88	51	0
Chemical Dependence [description not available]	0	10.79	28	2
Substance-Related Disorders Disorders related to substance use or abuse.	0	10.79	28	2
Bone Cancer [description not available]	0	4.22	18	0
Bone Neoplasms Tumors or cancer located in bone tissue or specific BONES.	0	4.22	18	0
Cancer of Colon [description not available]	0	4.4	21	0
Colonic Neoplasms Tumors or cancer of the COLON.	0	4.4	21	0
Infections, Coronavirus [description not available]	0	3.48	2	0
Communicable Diseases, Emerging Infectious diseases that are novel in their outbreak ranges (geographic and host) or transmission mode.	0	2.25	1	0
Pneumonia, Viral Inflammation of the lung parenchyma that is caused by a viral infection.	0	2.25	1	0
Coronavirus Infections Virus diseases caused by the CORONAVIRUS genus. Some specifics include transmissible enteritis of turkeys (ENTERITIS, TRANSMISSIBLE, OF TURKEYS); FELINE INFECTIOUS PERITONITIS; and transmissible gastroenteritis of swine (GASTROENTERITIS, TRANSMISSIBLE, OF SWINE).	0	3.48	2	0
Diabetic Glomerulosclerosis [description not available]	0	5.42	5	1
Diabetic Nephropathies KIDNEY injuries associated with diabetes mellitus and affecting KIDNEY GLOMERULUS; ARTERIOLES; KIDNEY TUBULES; and the interstitium. Clinical signs include persistent PROTEINURIA, from microalbuminuria progressing to ALBUMINURIA of greater than 300 mg/24 h, leading to reduced GLOMERULAR FILTRATION RATE and END-STAGE RENAL DISEASE.	0	5.42	5	1
Diabetic Retinopathy Disease of the RETINA as a complication of DIABETES MELLITUS. It is characterized by the progressive microvascular complications, such as ANEURYSM, interretinal EDEMA, and intraocular PATHOLOGIC NEOVASCULARIZATION.	0	9.17	3	1
Amentia [description not available]	0	5	9	0
Chronic Insomnia [description not available]	0	7.67	10	3
Dementia An acquired organic mental disorder with loss of intellectual abilities of sufficient severity to interfere with social or occupational functioning. The dysfunction is multifaceted and involves memory, behavior, personality, judgment, attention, spatial relations, language, abstract thought, and other executive functions. The intellectual decline is usually progressive, and initially spares the level of consciousness.	0	5	9	0
Sleep Initiation and Maintenance Disorders Disorders characterized by impairment of the ability to initiate or maintain sleep. This may occur as a primary disorder or in association with another medical or psychiatric condition.	0	7.67	10	3
Bovine Diseases [description not available]	0	2.68	3	0
Colonic Inertia Symptom characterized by the passage of stool once a week or less.	0	7.73	10	2
Constipation Infrequent or difficult evacuation of FECES. These symptoms are associated with a variety of causes, including low DIETARY FIBER intake, emotional or nervous disturbances, systemic and structural disorders, drug-induced aggravation, and infections.	0	7.73	10	2
HIV Human immunodeficiency virus. A non-taxonomic and historical term referring to any of two species, specifically HIV-1 and/or HIV-2. Prior to 1986, this was called human T-lymphotropic virus type III/lymphadenopathy-associated virus (HTLV-III/LAV). From 1986-1990, it was an official species called HIV. Since 1991, HIV was no longer considered an official species name; the two species were designated HIV-1 and HIV-2.	0	3.4	2	0
Zoonoses Diseases of non-human animals that may be transmitted to HUMANS or may be transmitted from humans to non-human animals.	0	2.25	1	0
AIDS, Simian [description not available]	0	2.69	2	0
Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.	0	6.76	59	0
Pulmonary Hypertension [description not available]	0	2.92	4	0
Hypertension, Pulmonary Increased VASCULAR RESISTANCE in the PULMONARY CIRCULATION, usually secondary to HEART DISEASES or LUNG DISEASES.	0	2.92	4	0
Lichen Ruber Planus [description not available]	0	2.31	1	0
Lichen Planus An inflammatory, pruritic disease of the skin and mucous membranes, which can be either generalized or localized. It is characterized by distinctive purplish, flat-topped papules having a predilection for the trunk and flexor surfaces. The lesions may be discrete or coalesce to form plaques. Histologically, there is a saw-tooth pattern of epidermal hyperplasia and vacuolar alteration of the basal layer of the epidermis along with an intense upper dermal inflammatory infiltrate composed predominantly of T-cells. Etiology is unknown.	0	2.31	1	0
ST Elevated Myocardial Infarction [description not available]	0	2.31	1	0
Non-ST-Elevation Myocardial Infarction [description not available]	0	2.31	1	0
ST Elevation Myocardial Infarction A clinical syndrome defined by MYOCARDIAL ISCHEMIA symptoms; persistent elevation in the ST segments of the ELECTROCARDIOGRAM; and release of BIOMARKERS of myocardial NECROSIS (e.g., elevated TROPONIN levels). ST segment elevation in the ECG is often used in determining the treatment protocol (see also NON-ST ELEVATION MYOCARDIAL INFARCTION).	0	2.31	1	0
Non-ST Elevated Myocardial Infarction A myocardial infarction that does not produce elevations in the ST segments of the ELECTROCARDIOGRAM. ST segment elevation of the ECG is often used in determining the treatment protocol (see also ST Elevation Myocardial Infarction).	0	2.31	1	0
Atrophy Decrease in the size of a cell, tissue, organ, or multiple organs, associated with a variety of pathological conditions such as abnormal cellular changes, ischemia, malnutrition, or hormonal changes.	0	6.58	10	2
Cretinism [description not available]	0	3.84	12	0
Congenital Hypothyroidism A condition in infancy or early childhood due to an in-utero deficiency of THYROID HORMONES that can be caused by genetic or environmental factors, such as thyroid dysgenesis or HYPOTHYROIDISM in infants of mothers treated with THIOURACIL during pregnancy. Endemic cretinism is the result of iodine deficiency. Clinical symptoms include severe MENTAL RETARDATION, impaired skeletal development, short stature, and MYXEDEMA.	0	3.84	12	0
Ureteral Obstruction Blockage in any part of the URETER causing obstruction of urine flow from the kidney to the URINARY BLADDER. The obstruction may be congenital, acquired, unilateral, bilateral, complete, partial, acute, or chronic. Depending on the degree and duration of the obstruction, clinical features vary greatly such as HYDRONEPHROSIS and obstructive nephropathy.	0	2.25	1	0
Protein Aggregation, Pathological A biochemical phenomenon in which misfolded proteins aggregate either intra- or extracellularly. Triggered by factors such as MUTATION; POST-TRANSLATIONAL MODIFICATIONS, and environmental stress, it is generally associated with ALZHEIMER DISEASE; PARKINSON DISEASE; HUNTINGTON DISEASE; and TYPE 2 DIABETES MELLITUS.	0	2.83	3	0
Chronic Hepatitis B [description not available]	0	3.43	2	0
Hepatitis B, Chronic INFLAMMATION of the LIVER in humans caused by HEPATITIS B VIRUS lasting six months or more. It is primarily transmitted by parenteral exposure, such as transfusion of contaminated blood or blood products, but can also be transmitted via sexual or intimate personal contact.	0	3.43	2	0
Alcoholic Liver Diseases [description not available]	0	4.5	5	1
Liver Diseases, Alcoholic Liver diseases associated with ALCOHOLISM. It usually refers to the coexistence of two or more subentities, i.e., ALCOHOLIC FATTY LIVER; ALCOHOLIC HEPATITIS; and ALCOHOLIC CIRRHOSIS.	0	4.5	5	1
Cholangiocellular Carcinoma [description not available]	0	3.23	1	0
Angiogenesis, Pathologic [description not available]	0	8.38	28	0
Carcinoma, Neuroendocrine A group of carcinomas which share a characteristic morphology, often being composed of clusters and trabecular sheets of round blue cells, granular chromatin, and an attenuated rim of poorly demarcated cytoplasm. Neuroendocrine tumors include carcinoids, small (oat) cell carcinomas, medullary carcinoma of the thyroid, Merkel cell tumor, cutaneous neuroendocrine carcinoma, pancreatic islet cell tumors, and pheochromocytoma. Neurosecretory granules are found within the tumor cells. (Segen, Dictionary of Modern Medicine, 1992)	0	3.45	2	0
Cholangiocarcinoma A malignant tumor arising from the epithelium of the BILE DUCTS.	0	3.23	1	0
Low Bone Density [description not available]	0	3.5	8	0
Bone Diseases, Metabolic Diseases that affect the METABOLIC PROCESSES of BONE TISSUE.	0	3.5	8	0
Disbacteriosis [description not available]	0	5.25	3	1
Nearsightedness [description not available]	0	2.31	1	0
Myopia A refractive error in which rays of light entering the EYE parallel to the optic axis are brought to a focus in front of the RETINA when accommodation (ACCOMMODATION, OCULAR) is relaxed. This results from an overly curved CORNEA or from the eyeball being too long from front to back. It is also called nearsightedness.	0	2.31	1	0
Arthritis, Juvenile Chronic [description not available]	0	2.31	1	0
Arthritis, Juvenile Arthritis in children, with onset before 16 years of age. The terms juvenile rheumatoid arthritis (JRA) and juvenile idiopathic arthritis (JIA) refer to classification systems for chronic arthritis in children. Only one subtype of juvenile arthritis (polyarticular-onset, rheumatoid factor-positive) clinically resembles adult rheumatoid arthritis and is considered its childhood equivalent.	0	2.31	1	0
Pain, Chronic [description not available]	0	3.23	1	0
Chronic Pain Aching sensation that persists for more than a few months. It may or may not be associated with trauma or disease, and may persist after the initial injury has healed. Its localization, character, and timing are more vague than with acute pain.	0	3.23	1	0
Meibomian Gland Dysfunction A chronic dysfunction of MEIBOMIAN GLANDS characterized by altered tear film stability and function due to a decrease or alteration in lipid quality/content in meibum. It is often associated with evaporative-type DRY EYE SYNDROME.	0	2.31	1	0
Allergic Reaction [description not available]	0	3.89	4	0
Eyelid Diseases Diseases involving the EYELIDS.	0	2.31	1	0
Hypersensitivity Altered reactivity to an antigen, which can result in pathologic reactions upon subsequent exposure to that particular antigen.	0	3.89	4	0
Glycosuria The appearance of an abnormally large amount of GLUCOSE in the urine, such as more than 500 mg/day in adults. It can be due to HYPERGLYCEMIA or genetic defects in renal reabsorption (RENAL GLYCOSURIA).	0	2.89	4	0
Burns Injuries to tissues caused by contact with heat, steam, chemicals (BURNS, CHEMICAL), electricity (BURNS, ELECTRIC), or the like.	0	10.19	34	4
Bladder Cancer [description not available]	0	3.07	5	0
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	0	3.07	5	0
Eperythrozoonosis [description not available]	0	3.7	1	1
Poultry Diseases Diseases of birds which are raised as a source of meat or eggs for human consumption and are usually found in barnyards, hatcheries, etc. The concept is differentiated from BIRD DISEASES which is for diseases of birds not considered poultry and usually found in zoos, parks, and the wild.	0	4.72	7	1
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	0	5.2	11	1
Bladder Pain Syndrome [description not available]	0	2.5	2	0
Cystitis, Interstitial A condition with recurring discomfort or pain in the URINARY BLADDER and the surrounding pelvic region without an identifiable disease. Severity of pain in interstitial cystitis varies greatly and often is accompanied by increased urination frequency and urgency.	0	2.5	2	0
Child Development Deviations [description not available]	0	9.6	25	1
Decreased Muscle Tone [description not available]	0	2.7	3	0
Developmental Disabilities Disorders in which there is a delay in development based on that expected for a given age level or stage of development. These impairments or disabilities originate before age 18, may be expected to continue indefinitely, and constitute a substantial impairment. Biological and nonbiological factors are involved in these disorders. (From American Psychiatric Glossary, 6th ed)	0	9.6	25	1
Allergy, Drug [description not available]	0	6.13	6	2
Drug Hypersensitivity Immunologically mediated adverse reactions to medicinal substances used legally or illegally.	0	6.13	6	2
Adverse Drug Event [description not available]	0	6.07	10	3
Anaphylactic Reaction [description not available]	0	3.05	5	0
Anaphylaxis An acute hypersensitivity reaction due to exposure to a previously encountered ANTIGEN. The reaction may include rapidly progressing URTICARIA, respiratory distress, vascular collapse, systemic SHOCK, and death.	0	3.05	5	0
Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.	0	6.07	10	3
Cardiac Diseases [description not available]	0	2.89	4	0
Heart Diseases Pathological conditions involving the HEART including its structural and functional abnormalities.	0	2.89	4	0
Airflow Obstruction, Chronic [description not available]	0	9.04	11	2
Asthma, Bronchial [description not available]	0	5.04	9	0
Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL).	0	5.04	9	0
Pulmonary Disease, Chronic Obstructive A disease of chronic diffuse irreversible airflow obstruction. Subcategories of COPD include CHRONIC BRONCHITIS and PULMONARY EMPHYSEMA.	0	9.04	11	2
Fatigue, Mental [description not available]	0	3.7	1	1
Acute Brain Injuries [description not available]	0	4.27	7	0
Brain Injuries Acute and chronic (see also BRAIN INJURIES, CHRONIC) injuries to the brain, including the cerebral hemispheres, CEREBELLUM, and BRAIN STEM. Clinical manifestations depend on the nature of injury. Diffuse trauma to the brain is frequently associated with DIFFUSE AXONAL INJURY or COMA, POST-TRAUMATIC. Localized injuries may be associated with NEUROBEHAVIORAL MANIFESTATIONS; HEMIPARESIS, or other focal neurologic deficits.	0	4.27	7	0
Equine Diseases [description not available]	0	3.38	7	0
Xanthoma [description not available]	0	2.41	1	0
Vitiligo A disorder consisting of areas of macular depigmentation, commonly on extensor aspects of extremities, on the face or neck, and in skin folds. Age of onset is often in young adulthood and the condition tends to progress gradually with lesions enlarging and extending until a quiescent state is reached.	0	10.38	25	5
As If Personality [description not available]	0	2.43	2	0
Neuroendocrine Tumors Tumors whose cells possess secretory granules and originate from the neuroectoderm, i.e., the cells of the ectoblast or epiblast that program the neuroendocrine system. Common properties across most neuroendocrine tumors include ectopic hormone production (often via APUD CELLS), the presence of tumor-associated antigens, and isozyme composition.	0	7.8	7	1
Acidosis, Diabetic [description not available]	0	4.96	3	1
Diabetic Ketoacidosis A life-threatening complication of diabetes mellitus, primarily of TYPE 1 DIABETES MELLITUS with severe INSULIN deficiency and extreme HYPERGLYCEMIA. It is characterized by KETOSIS; DEHYDRATION; and depressed consciousness leading to COMA.	0	4.96	3	1
Bleeding [description not available]	0	5.25	12	1
Envenomation, Snakebite [description not available]	0	2.98	4	0
Hemorrhage Bleeding or escape of blood from a vessel.	0	5.25	12	1
Infarct, Lacunar [description not available]	0	3.43	2	0
Hand Foot and Mouth Disease [description not available]	0	4.13	5	0
Hand, Foot and Mouth Disease A mild, highly infectious viral disease of children, characterized by vesicular lesions in the mouth and on the hands and feet. It is caused by coxsackieviruses A.	0	4.13	5	0
Sicca Syndrome [description not available]	0	3.66	3	0
Sjogren's Syndrome Chronic inflammatory and autoimmune disease in which the salivary and lacrimal glands undergo progressive destruction by lymphocytes and plasma cells resulting in decreased production of saliva and tears. The primary form, often called sicca syndrome, involves both KERATOCONJUNCTIVITIS SICCA and XEROSTOMIA. The secondary form includes, in addition, the presence of a connective tissue disease, usually rheumatoid arthritis.	0	3.66	3	0
Vibrio cholerae Infection [description not available]	0	2.15	1	0
Cholera An acute diarrheal disease endemic in India and Southeast Asia whose causative agent is VIBRIO CHOLERAE. This condition can lead to severe dehydration in a matter of hours unless quickly treated.	0	2.15	1	0
Cognition Disorders Disorders characterized by disturbances in mental processes related to learning, thinking, reasoning, and judgment.	0	11.31	34	4
Absence Seizure [description not available]	0	7.42	46	0
Seizures Clinical or subclinical disturbances of cortical function due to a sudden, abnormal, excessive, and disorganized discharge of brain cells. Clinical manifestations include abnormal motor, sensory and psychic phenomena. Recurrent seizures are usually referred to as EPILEPSY or seizure disorder.	0	7.42	46	0
Argentaffinoma [description not available]	0	5.46	11	0
Carcinoid Tumor A usually small, slow-growing neoplasm composed of islands of rounded, oxyphilic, or spindle-shaped cells of medium size, with moderately small vesicular nuclei, and covered by intact mucosa with a yellow cut surface. The tumor can occur anywhere in the gastrointestinal tract (and in the lungs and other sites); approximately 90% arise in the appendix. It is now established that these tumors are of neuroendocrine origin and derive from a primitive stem cell. (From Stedman, 25th ed & Holland et al., Cancer Medicine, 3d ed, p1182)	0	5.46	11	0
Seasonal Affective Disorders [description not available]	0	3.9	2	1
Seasonal Affective Disorder A syndrome characterized by depressions that recur annually at the same time each year, usually during the winter months. Other symptoms include anxiety, irritability, decreased energy, increased appetite (carbohydrate cravings), increased duration of sleep, and weight gain. SAD (seasonal affective disorder) can be treated by daily exposure to bright artificial lights (PHOTOTHERAPY), during the season of recurrence.	0	3.9	2	1
Delayed Effects, Prenatal Exposure [description not available]	0	6.38	15	0
Channelopathies A variety of neuromuscular conditions resulting from MUTATIONS in ION CHANNELS manifesting as episodes of EPILEPSY; HEADACHE DISORDERS; and DYSKINESIAS.	0	2.15	1	0
Ataxia Impairment of the ability to perform smoothly coordinated voluntary movements. This condition may affect the limbs, trunk, eyes, pharynx, larynx, and other structures. Ataxia may result from impaired sensory or motor function. Sensory ataxia may result from posterior column injury or PERIPHERAL NERVE DISEASES. Motor ataxia may be associated with CEREBELLAR DISEASES; CEREBRAL CORTEX diseases; THALAMIC DISEASES; BASAL GANGLIA DISEASES; injury to the RED NUCLEUS; and other conditions.	0	7.48	2	0
Liver Dysfunction [description not available]	0	13.94	53	1
Liver Diseases Pathological processes of the LIVER.	0	13.94	53	1
Neglected Diseases Diseases that are underfunded and have low name recognition but are major burdens in less developed countries. The World Health Organization has designated six tropical infectious diseases as being neglected in industrialized countries that are endemic in many developing countries (HELMINTHIASIS; LEPROSY; LYMPHATIC FILARIASIS; ONCHOCERCIASIS; SCHISTOSOMIASIS; and TRACHOMA).	0	2.15	1	0
African Sleeping Sickness [description not available]	0	4.02	5	0
Trypanosomiasis, African A disease endemic among people and animals in Central Africa. It is caused by various species of trypanosomes, particularly T. gambiense and T. rhodesiense. Its second host is the TSETSE FLY. Involvement of the central nervous system produces African sleeping sickness. Nagana is a rapidly fatal trypanosomiasis of horses and other animals.	0	4.02	5	0
Necrotizing Enterocolitis [description not available]	0	2.15	1	0
Enterocolitis, Necrotizing ENTEROCOLITIS with extensive ulceration (ULCER) and NECROSIS. It is observed primarily in LOW BIRTH WEIGHT INFANT.	0	2.15	1	0
Impaired Glucose Tolerance [description not available]	0	13.36	29	11
Glucose Intolerance A pathological state in which BLOOD GLUCOSE level is less than approximately 140 mg/100 ml of PLASMA at fasting, and above approximately 200 mg/100 ml plasma at 30-, 60-, or 90-minute during a GLUCOSE TOLERANCE TEST. This condition is seen frequently in DIABETES MELLITUS, but also occurs with other diseases and MALNUTRITION.	0	13.36	29	11
Chronic Kidney Diseases [description not available]	0	3.86	2	1
Renal Insufficiency, Chronic Conditions in which the KIDNEYS perform below the normal level for more than three months. Chronic kidney insufficiency is classified by five stages according to the decline in GLOMERULAR FILTRATION RATE and the degree of kidney damage (as measured by the level of PROTEINURIA). The most severe form is the end-stage renal disease (CHRONIC KIDNEY FAILURE). (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002)	0	3.86	2	1
Autosomal Dominant Juvenile Parkinson Disease [description not available]	0	3.14	5	0
Parkinsonian Disorders A group of disorders which feature impaired motor control characterized by bradykinesia, MUSCLE RIGIDITY; TREMOR; and postural instability. Parkinsonian diseases are generally divided into primary parkinsonism (see PARKINSON DISEASE), secondary parkinsonism (see PARKINSON DISEASE, SECONDARY) and inherited forms. These conditions are associated with dysfunction of dopaminergic or closely related motor integration neuronal pathways in the BASAL GANGLIA.	0	3.14	5	0
Abnormal Movements [description not available]	0	2.15	1	0
Complications of Diabetes Mellitus [description not available]	0	5.7	7	1
Chorea Disorders [description not available]	0	2.65	3	0
Chorea Involuntary, forcible, rapid, jerky movements that may be subtle or become confluent, markedly altering normal patterns of movement. Hypotonia and pendular reflexes are often associated. Conditions which feature recurrent or persistent episodes of chorea as a primary manifestation of disease are referred to as CHOREATIC DISORDERS. Chorea is also a frequent manifestation of BASAL GANGLIA DISEASES.	0	2.65	3	0
Fish Diseases Diseases of freshwater, marine, hatchery or aquarium fish. This term includes diseases of both teleosts (true fish) and elasmobranchs (sharks, rays and skates).	0	2.99	4	0
Pediculosis [description not available]	0	2.15	1	0
Lice Infestations Parasitic attack or subsistence on the skin by members of the order Phthiraptera, especially on humans by Pediculus humanus of the family Pediculidae. The hair of the head, eyelashes, and pubis is a frequent site of infestation. (From Dorland, 28th ed; Stedman, 26th ed)	0	2.15	1	0
Cardiometabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components not only include metabolic dysfunctions of METABOLIC SYNDROME but also HYPERTENSION, and ABDOMINAL OBESITY.	0	5.48	5	0
Metabolic Syndrome A cluster of symptoms that are risk factors for CARDIOVASCULAR DISEASES and TYPE 2 DIABETES MELLITUS. The major components of metabolic syndrome include ABDOMINAL OBESITY; atherogenic DYSLIPIDEMIA; HYPERTENSION; HYPERGLYCEMIA; INSULIN RESISTANCE; a proinflammatory state; and a prothrombotic (THROMBOSIS) state.	0	5.48	5	0
Cancer of Stomach [description not available]	0	5.24	20	0
Stomach Neoplasms Tumors or cancer of the STOMACH.	0	5.24	20	0
Erythremia [description not available]	0	6.8	22	1
Hemorrhagic Thrombocythemia [description not available]	0	4.2	16	0
Polycythemia Vera A myeloproliferative disorder of unknown etiology, characterized by abnormal proliferation of all hematopoietic bone marrow elements and an absolute increase in red cell mass and total blood volume, associated frequently with splenomegaly, leukocytosis, and thrombocythemia. Hematopoiesis is also reactive in extramedullary sites (liver and spleen). In time myelofibrosis occurs.	0	6.8	22	1
Thrombocythemia, Essential A clinical syndrome characterized by repeated spontaneous hemorrhages and a remarkable increase in the number of circulating platelets.	0	4.2	16	0
Choroid Neovascularization [description not available]	0	3.2	5	0
Wet Macular Degeneration A form of RETINAL DEGENERATION in which abnormal CHOROIDAL NEOVASCULARIZATION occurs under the RETINA and MACULA LUTEA, causing bleeding and leaking of fluid. This leads to bulging and or lifting of the macula and the distortion or destruction of central vision.	0	2.17	1	0
Precordial Catch [description not available]	0	2.58	2	0
Chest Pain Pressure, burning, or numbness in the chest.	0	2.58	2	0
Infections, Helicobacter [description not available]	0	2.15	1	0
Gastritis Inflammation of the GASTRIC MUCOSA, a lesion observed in a number of unrelated disorders.	0	2.66	3	0
Helicobacter Infections Infections with organisms of the genus HELICOBACTER, particularly, in humans, HELICOBACTER PYLORI. The clinical manifestations are focused in the stomach, usually the gastric mucosa and antrum, and the upper duodenum. This infection plays a major role in the pathogenesis of type B gastritis and peptic ulcer disease.	0	2.15	1	0
Carcinoma, Squamous Cell of Head and Neck [description not available]	0	3.56	1	1
Squamous Cell Carcinoma of Head and Neck The most common type of head and neck carcinoma that originates from cells on the surface of the NASAL CAVITY; MOUTH; PARANASAL SINUSES, SALIVARY GLANDS, and LARYNX. Mutations in TNFRSF10B, PTEN, and ING1 genes are associated with this cancer.	0	3.56	1	1
Central Nervous System Disease [description not available]	0	4.27	7	0
Central Nervous System Diseases Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord.	0	4.27	7	0
Gall Bladder Diseases [description not available]	0	2.39	2	0
Diseases of Immune System [description not available]	0	3.64	3	0
Immune System Diseases Disorders caused by abnormal or absent immunologic mechanisms, whether humoral, cell-mediated, or both.	0	3.64	3	0
Benign Psychomotor Epilepsy, Childhood [description not available]	0	2.17	1	0
Epilepsy, Temporal Lobe A localization-related (focal) form of epilepsy characterized by recurrent seizures that arise from foci within the TEMPORAL LOBE, most commonly from its mesial aspect. A wide variety of psychic phenomena may be associated, including illusions, hallucinations, dyscognitive states, and affective experiences. The majority of complex partial seizures (see EPILEPSY, COMPLEX PARTIAL) originate from the temporal lobes. Temporal lobe seizures may be classified by etiology as cryptogenic, familial, or symptomatic. (From Adams et al., Principles of Neurology, 6th ed, p321).	0	2.17	1	0
Invasiveness, Neoplasm [description not available]	0	7.25	37	1
Deficiency, Protein [description not available]	0	5.47	26	0
Acanthamoeba Meningoencephalitis [description not available]	0	2.17	1	0
Infection, Toxoplasma gondii [description not available]	0	3.05	4	0
Toxoplasmosis The acquired form of infection by Toxoplasma gondii in animals and man.	0	3.05	4	0
Aura [description not available]	0	5.27	21	0
Epilepsy A disorder characterized by recurrent episodes of paroxysmal brain dysfunction due to a sudden, disorderly, and excessive neuronal discharge. Epilepsy classification systems are generally based upon: (1) clinical features of the seizure episodes (e.g., motor seizure), (2) etiology (e.g., post-traumatic), (3) anatomic site of seizure origin (e.g., frontal lobe seizure), (4) tendency to spread to other structures in the brain, and (5) temporal patterns (e.g., nocturnal epilepsy). (From Adams et al., Principles of Neurology, 6th ed, p313)	0	10.27	21	0
Depression, Endogenous [description not available]	0	7.54	20	3
Depressive Disorder An affective disorder manifested by either a dysphoric mood or loss of interest or pleasure in usual activities. The mood disturbance is prominent and relatively persistent.	0	12.54	20	3
Acute Disease Disease having a short and relatively severe course.	0	7.05	31	1
ACD-MPV [description not available]	0	2.17	1	0
Persistent Fetal Circulation Syndrome A syndrome of persistent PULMONARY HYPERTENSION in the newborn infant (INFANT, NEWBORN) without demonstrable HEART DISEASES. This neonatal condition can be caused by severe pulmonary vasoconstriction (reactive type), hypertrophy of pulmonary arterial muscle (hypertrophic type), or abnormally developed pulmonary arterioles (hypoplastic type). The newborn patient exhibits CYANOSIS and ACIDOSIS due to the persistence of fetal circulatory pattern of right-to-left shunting of blood through a patent ductus arteriosus (DUCTUS ARTERIOSUS, PATENT) and at times a patent foramen ovale (FORAMEN OVALE, PATENT).	0	2.17	1	0
IgG4 Related Systemic Disease [description not available]	0	2.17	1	0
Immunoglobulin G4-Related Disease A spectrum of systemic autoimmune diseases in which IMMUNOGLOBULIN G4 plays a pathophysiologic role. It can affect multiple organs in highly variable presentations, characterized by inflammatory lesions composed of IgG4-positive PLASMA CELLS, further infiltrated by T helper cells (T-LYMPHOCYTES, HELPER-INDUCER) when linked to progressive FIBROSIS and eventual organ damage.	0	2.17	1	0
Addison Disease and Cerebral Sclerosis [description not available]	0	3.09	1	0
Adrenoleukodystrophy An X-linked recessive disorder characterized by the accumulation of saturated very long chain fatty acids in the LYSOSOMES of ADRENAL CORTEX and the white matter of CENTRAL NERVOUS SYSTEM. This disease occurs almost exclusively in the males. Clinical features include the childhood onset of ATAXIA; NEUROBEHAVIORAL MANIFESTATIONS; HYPERPIGMENTATION; ADRENAL INSUFFICIENCY; SEIZURES; MUSCLE SPASTICITY; and DEMENTIA. The slowly progressive adult form is called adrenomyeloneuropathy. The defective gene ABCD1 is located at Xq28, and encodes the adrenoleukodystrophy protein (ATP-BINDING CASSETTE TRANSPORTERS).	0	3.09	1	0
Atrophy, Muscular, Peroneal [description not available]	0	3.42	7	0
Charcot-Marie-Tooth Disease A hereditary motor and sensory neuropathy transmitted most often as an autosomal dominant trait and characterized by progressive distal wasting and loss of reflexes in the muscles of the legs (and occasionally involving the arms). Onset is usually in the second to fourth decade of life. This condition has been divided into two subtypes, hereditary motor and sensory neuropathy (HMSN) types I and II. HMSN I is associated with abnormal nerve conduction velocities and nerve hypertrophy, features not seen in HMSN II. (Adams et al., Principles of Neurology, 6th ed, p1343)	0	3.42	7	0
Peripheral Nerve Diseases [description not available]	0	3.12	5	0
Peripheral Nervous System Diseases Diseases of the peripheral nerves external to the brain and spinal cord, which includes diseases of the nerve roots, ganglia, plexi, autonomic nerves, sensory nerves, and motor nerves.	0	3.12	5	0
Aspergillus Infection [description not available]	0	2.39	2	0
Aspergillosis Infections with fungi of the genus ASPERGILLUS.	0	2.39	2	0
Koch's Disease [description not available]	0	2.69	3	0
Tuberculosis Any of the infectious diseases of man and other animals caused by species of MYCOBACTERIUM TUBERCULOSIS.	0	2.69	3	0
Genetic Diseases [description not available]	0	3.36	7	0
Genetic Diseases, Inborn Diseases that are caused by genetic mutations present during embryo or fetal development, although they may be observed later in life. The mutations may be inherited from a parent's genome or they may be acquired in utero.	0	3.36	7	0
Dehydration The condition that results from excessive loss of water from a living organism.	0	2.17	1	0
Enterocele An intestinal HERNIA.	0	2.17	1	0
Hernia Protrusion of tissue, structure, or part of an organ through the bone, muscular tissue, or the membrane by which it is normally contained. Hernia may involve tissues such as the ABDOMINAL WALL or the respiratory DIAPHRAGM. Hernias may be internal, external, congenital, or acquired.	0	2.17	1	0
Electron Transport Chain Deficiencies, Mitochondrial [description not available]	0	5.73	7	1
Paralysis, Legs [description not available]	0	2.92	4	0
Paraplegia Severe or complete loss of motor function in the lower extremities and lower portions of the trunk. This condition is most often associated with SPINAL CORD DISEASES, although BRAIN DISEASES; PERIPHERAL NERVOUS SYSTEM DISEASES; NEUROMUSCULAR DISEASES; and MUSCULAR DISEASES may also cause bilateral leg weakness.	0	2.92	4	0
Mitochondrial Diseases Diseases caused by abnormal function of the MITOCHONDRIA. They may be caused by mutations, acquired or inherited, in mitochondrial DNA or in nuclear genes that code for mitochondrial components. They may also be the result of acquired mitochondria dysfunction due to adverse effects of drugs, infections, or other environmental causes.	0	5.73	7	1
Ear Infection [description not available]	0	2.17	1	0
Chronic Fatigue and Immune Dysfunction Syndrome [description not available]	0	4.14	3	1
Fatigue Syndrome, Chronic A syndrome characterized by persistent or recurrent fatigue, diffuse musculoskeletal pain, sleep disturbances, and subjective cognitive impairment of 6 months duration or longer. Symptoms are not caused by ongoing exertion; are not relieved by rest; and result in a substantial reduction of previous levels of occupational, educational, social, or personal activities. Minor alterations of immune, neuroendocrine, and autonomic function may be associated with this syndrome. There is also considerable overlap between this condition and FIBROMYALGIA. (From Semin Neurol 1998;18(2):237-42; Ann Intern Med 1994 Dec 15;121(12): 953-9)	0	4.14	3	1
Debility [description not available]	0	2.17	1	0
Acute Liver Injury, Drug-Induced [description not available]	0	4.9	14	0
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	0	4.9	14	0
Icterus Gravis Neonatorum [description not available]	0	2.4	2	0
Bilirubin Encephalopathy [description not available]	0	2.21	1	0
Jaundice, Neonatal Yellow discoloration of the SKIN; MUCOUS MEMBRANE; and SCLERA in the NEWBORN. It is a sign of NEONATAL HYPERBILIRUBINEMIA. Most cases are transient self-limiting (PHYSIOLOGICAL NEONATAL JAUNDICE) occurring in the first week of life, but some can be a sign of pathological disorders, particularly LIVER DISEASES.	0	2.4	2	0
Kernicterus A term used pathologically to describe BILIRUBIN staining of the BASAL GANGLIA; BRAIN STEM; and CEREBELLUM and clinically to describe a syndrome associated with HYPERBILIRUBINEMIA. Clinical features include athetosis, MUSCLE SPASTICITY or hypotonia, impaired vertical gaze, and DEAFNESS. Nonconjugated bilirubin enters the brain and acts as a neurotoxin, often in association with conditions that impair the BLOOD-BRAIN BARRIER (e.g., SEPSIS). This condition occurs primarily in neonates (INFANT, NEWBORN), but may rarely occur in adults. (Menkes, Textbook of Child Neurology, 5th ed, p613)	0	2.21	1	0
Infections, Vibrio [description not available]	0	2.21	1	0
Infections, Orthomyxoviridae [description not available]	0	2.21	1	0
Orthomyxoviridae Infections Virus diseases caused by the ORTHOMYXOVIRIDAE.	0	2.21	1	0
AIDS Seroconversion [description not available]	0	2.48	2	0
Lung Injury, Acute [description not available]	0	2.78	3	0
Acute Lung Injury A condition of lung damage that is characterized by bilateral pulmonary infiltrates (PULMONARY EDEMA) rich in NEUTROPHILS, and in the absence of clinical HEART FAILURE. This can represent a spectrum of pulmonary lesions, endothelial and epithelial, due to numerous factors (physical, chemical, or biological).	0	2.78	3	0
Granulocytic Leukemia, Chronic [description not available]	0	3.81	11	0
Leukemia, Myelogenous, Chronic, BCR-ABL Positive Clonal hematopoetic disorder caused by an acquired genetic defect in PLURIPOTENT STEM CELLS. It starts in MYELOID CELLS of the bone marrow, invades the blood and then other organs. The condition progresses from a stable, more indolent, chronic phase (LEUKEMIA, MYELOID, CHRONIC PHASE) lasting up to 7 years, to an advanced phase composed of an accelerated phase (LEUKEMIA, MYELOID, ACCELERATED PHASE) and BLAST CRISIS.	0	3.81	11	0
Affective Psychosis, Bipolar [description not available]	0	5.14	11	1
Bipolar Disorder A major affective disorder marked by severe mood swings (manic or major depressive episodes) and a tendency to remission and recurrence.	0	5.14	11	1
Bites [description not available]	0	2.54	2	0
Chronic Progressive Multiple Sclerosis [description not available]	0	2.21	1	0
Acute Relapsing Multiple Sclerosis [description not available]	0	2.21	1	0
Multiple Sclerosis, Chronic Progressive A form of multiple sclerosis characterized by a progressive deterioration in neurologic function which is in contrast to the more typical relapsing remitting form. If the clinical course is free of distinct remissions, it is referred to as primary progressive multiple sclerosis. When the progressive decline is punctuated by acute exacerbations, it is referred to as progressive relapsing multiple sclerosis. The term secondary progressive multiple sclerosis is used when relapsing remitting multiple sclerosis evolves into the chronic progressive form. (From Ann Neurol 1994;36 Suppl:S73-S79; Adams et al., Principles of Neurology, 6th ed, pp903-914)	0	2.21	1	0
Multiple Sclerosis, Relapsing-Remitting The most common clinical variant of MULTIPLE SCLEROSIS, characterized by recurrent acute exacerbations of neurologic dysfunction followed by partial or complete recovery. Common clinical manifestations include loss of visual (see OPTIC NEURITIS), motor, sensory, or bladder function. Acute episodes of demyelination may occur at any site in the central nervous system, and commonly involve the optic nerves, spinal cord, brain stem, and cerebellum. (Adams et al., Principles of Neurology, 6th ed, pp903-914)	0	2.21	1	0
Cholera Infantum [description not available]	0	5.79	8	1
CBS Deficiency [description not available]	0	6.83	30	0
Clasp-Knife Spasticity [description not available]	0	3.24	6	0
Psychoses [description not available]	0	11.75	14	1
Homocystinuria Autosomal recessive inborn error of methionine metabolism usually caused by a deficiency of CYSTATHIONINE BETA-SYNTHASE and associated with elevations of homocysteine in plasma and urine. Clinical features include a tall slender habitus, SCOLIOSIS, arachnodactyly, MUSCLE WEAKNESS, genu varus, thin blond hair, malar flush, lens dislocations, an increased incidence of MENTAL RETARDATION, and a tendency to develop fibrosis of arteries, frequently complicated by CEREBROVASCULAR ACCIDENTS and MYOCARDIAL INFARCTION. (From Adams et al., Principles of Neurology, 6th ed, p979)	0	11.83	30	0
Muscle Spasticity A form of muscle hypertonia associated with upper MOTOR NEURON DISEASE. Resistance to passive stretch of a spastic muscle results in minimal initial resistance (a free interval) followed by an incremental increase in muscle tone. Tone increases in proportion to the velocity of stretch. Spasticity is usually accompanied by HYPERREFLEXIA and variable degrees of MUSCLE WEAKNESS. (From Adams et al., Principles of Neurology, 6th ed, p54)	0	3.24	6	0
Psychotic Disorders Disorders in which there is a loss of ego boundaries or a gross impairment in reality testing with delusions or prominent hallucinations. (From DSM-IV, 1994)	0	6.75	14	1
Motor Disorders Motor skills deficits that significantly and persistently interfere with ACTIVITIES OF DAILY LIVING appropriate to chronological age. (from DSM-5)	0	2.21	1	0
Hemorrhage, Subarachnoid [description not available]	0	2.21	1	0
Subarachnoid Hemorrhage Bleeding into the intracranial or spinal SUBARACHNOID SPACE, most resulting from INTRACRANIAL ANEURYSM rupture. It can occur after traumatic injuries (SUBARACHNOID HEMORRHAGE, TRAUMATIC). Clinical features include HEADACHE; NAUSEA; VOMITING, nuchal rigidity, variable neurological deficits and reduced mental status.	0	2.21	1	0
Cancer of Pancreas [description not available]	0	8.52	30	2
Pancreatic Neoplasms Tumors or cancer of the PANCREAS. Depending on the types of ISLET CELLS present in the tumors, various hormones can be secreted: GLUCAGON from PANCREATIC ALPHA CELLS; INSULIN from PANCREATIC BETA CELLS; and SOMATOSTATIN from the SOMATOSTATIN-SECRETING CELLS. Most are malignant except the insulin-producing tumors (INSULINOMA).	0	8.52	30	2
Cardiac Toxicity [description not available]	0	2.21	1	0
Cardiotoxicity Damage to the HEART or its function secondary to exposure to toxic substances such as drugs used in CHEMOTHERAPY; IMMUNOTHERAPY; or RADIATION.	0	7.21	1	0
Akinetic-Rigid Variant of Huntington Disease [description not available]	0	3.22	6	0
Huntington Disease A familial disorder inherited as an autosomal dominant trait and characterized by the onset of progressive CHOREA and DEMENTIA in the fourth or fifth decade of life. Common initial manifestations include paranoia; poor impulse control; DEPRESSION; HALLUCINATIONS; and DELUSIONS. Eventually intellectual impairment; loss of fine motor control; ATHETOSIS; and diffuse chorea involving axial and limb musculature develops, leading to a vegetative state within 10-15 years of disease onset. The juvenile variant has a more fulminant course including SEIZURES; ATAXIA; dementia; and chorea. (From Adams et al., Principles of Neurology, 6th ed, pp1060-4)	0	3.22	6	0
Cachexia General ill health, malnutrition, and weight loss, usually associated with chronic disease.	0	4.66	6	1
Chronic Kidney Failure [description not available]	0	18.11	44	10
Kidney Failure, Chronic The end-stage of CHRONIC RENAL INSUFFICIENCY. It is characterized by the severe irreversible kidney damage (as measured by the level of PROTEINURIA) and the reduction in GLOMERULAR FILTRATION RATE to less than 15 ml per min (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002). These patients generally require HEMODIALYSIS or KIDNEY TRANSPLANTATION.	0	13.11	44	10
Hospital-Acquired Condition [description not available]	0	3.32	2	0
Steatorrhea A condition that is characterized by chronic fatty DIARRHEA, a result of abnormal DIGESTION and/or INTESTINAL ABSORPTION of FATS.	0	3.12	1	0
Adenoma, Basal Cell [description not available]	0	4.04	5	0
Malabsorption Syndromes General term for a group of MALNUTRITION syndromes caused by failure of normal INTESTINAL ABSORPTION of nutrients.	0	4.48	9	0
Adenoma A benign epithelial tumor with a glandular organization.	0	4.04	5	0
Anxiety Neuroses [description not available]	0	2.21	1	0
Anxiety Disorders Persistent and disabling ANXIETY.	0	2.21	1	0
Infections, Staphylococcal [description not available]	0	3.22	6	0
Staphylococcal Infections Infections with bacteria of the genus STAPHYLOCOCCUS.	0	3.22	6	0
Enterovirus Infections Diseases caused by ENTEROVIRUS.	0	3.33	6	0
Metabolic Acidosis [description not available]	0	3.58	9	0
Plasmodium falciparum Malaria [description not available]	0	2.99	4	0
Acidosis A pathologic condition of acid accumulation or depletion of base in the body. The two main types are RESPIRATORY ACIDOSIS and metabolic acidosis, due to metabolic acid build up.	0	3.58	9	0
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.	0	2.99	4	0
Secondary Hyperparathyroidism [description not available]	0	2.21	1	0
Hyperparathyroidism, Secondary Abnormally elevated PARATHYROID HORMONE secretion as a response to HYPOCALCEMIA. It is caused by chronic KIDNEY FAILURE or other abnormalities in the controls of bone and mineral metabolism, leading to various BONE DISEASES, such as RENAL OSTEODYSTROPHY.	0	2.21	1	0
Uremia A clinical syndrome associated with the retention of renal waste products or uremic toxins in the blood. It is usually the result of RENAL INSUFFICIENCY. Most uremic toxins are end products of protein or nitrogen CATABOLISM, such as UREA or CREATININE. Severe uremia can lead to multiple organ dysfunctions with a constellation of symptoms.	0	8.06	31	2
Intertrochanteric Fractures [description not available]	0	2.79	3	0
Hip Fractures Fractures of the FEMUR HEAD; the FEMUR NECK; (FEMORAL NECK FRACTURES); the trochanters; or the inter- or subtrochanteric region. Excludes fractures of the acetabulum and fractures of the femoral shaft below the subtrochanteric region (FEMORAL FRACTURES).	0	2.79	3	0
Limb-Girdle Muscular Dystrophies [description not available]	0	2.76	3	0
Muscular Dystrophies, Limb-Girdle A heterogenous group of inherited muscular dystrophy that can be autosomal dominant or autosomal recessive. There are many forms (called LGMDs) involving genes encoding muscle membrane proteins such as the sarcoglycan (SARCOGLYCANS) complex that interacts with DYSTROPHIN. The disease is characterized by progressing wasting and weakness of the proximal muscles of arms and legs around the HIPS and SHOULDERS (the pelvic and shoulder girdles).	0	2.76	3	0
Infection [description not available]	0	5.38	10	0
Infections Invasion of the host organism by microorganisms or their toxins or by parasites that can cause pathological conditions or diseases.	0	5.38	10	0
Bacteremia The presence of viable bacteria circulating in the blood. Fever, chills, tachycardia, and tachypnea are common acute manifestations of bacteremia. The majority of cases are seen in already hospitalized patients, most of whom have underlying diseases or procedures which render their bloodstreams susceptible to invasion.	0	2.21	1	0
Leanness [description not available]	0	2.49	2	0
Pyrexia [description not available]	0	3.97	14	0
Emesis [description not available]	0	3.99	5	0
Fever An abnormal elevation of body temperature, usually as a result of a pathologic process.	0	8.97	14	0
Vomiting The forcible expulsion of the contents of the STOMACH through the MOUTH.	0	3.99	5	0
Argininosuccinate Synthase Deficiency Disease [description not available]	0	3.38	2	0
Auditory Processing Disorder, Central [description not available]	0	3.12	1	0
Citrullinemia A group of diseases related to a deficiency of the enzyme ARGININOSUCCINATE SYNTHASE which causes an elevation of serum levels of CITRULLINE. In neonates, clinical manifestations include lethargy, hypotonia, and SEIZURES. Milder forms also occur. Childhood and adult forms may present with recurrent episodes of intermittent weakness, lethargy, ATAXIA, behavioral changes, and DYSARTHRIA. (From Menkes, Textbook of Child Neurology, 5th ed, p49)	0	3.38	2	0
Alpers Diffuse Degeneration of Cerebral Gray Matter with Hepatic Cirrhosis [description not available]	0	2.67	3	0
Refractory Depression [description not available]	0	2.21	1	0
Depressive Disorder, Treatment-Resistant Failure to respond to two or more trials of antidepressant monotherapy or failure to respond to four or more trials of different antidepressant therapies. (Campbell's Psychiatric Dictionary, 9th ed.)	0	2.21	1	0
Infections, Legionella pneumophila [description not available]	0	2.68	3	0
Agnogenic Myeloid Metaplasia [description not available]	0	3.97	13	0
Primary Myelofibrosis A de novo myeloproliferation arising from an abnormal stem cell. It is characterized by the replacement of bone marrow by fibrous tissue, a process that is mediated by CYTOKINES arising from the abnormal clone.	0	3.97	13	0
Adult Spinal Muscular Atrophy [description not available]	0	2.21	1	0
Muscular Atrophy, Spinal A group of disorders marked by progressive degeneration of motor neurons in the spinal cord resulting in weakness and muscular atrophy, usually without evidence of injury to the corticospinal tracts. Diseases in this category include Werdnig-Hoffmann disease and later onset SPINAL MUSCULAR ATROPHIES OF CHILDHOOD, most of which are hereditary. (Adams et al., Principles of Neurology, 6th ed, p1089)	0	2.21	1	0
Abortion, Recurrent [description not available]	0	2.9	4	0
Abortion, Habitual Three or more consecutive spontaneous abortions.	0	2.9	4	0
Hypermelanosis [description not available]	0	3.85	2	1
Chloasma [description not available]	0	4.65	6	1
Lentigines [description not available]	0	9.08	3	1
Lentigo Small circumscribed melanoses resembling, but differing histologically from, freckles. The concept includes senile lentigo ('liver spots') and nevoid lentigo (nevus spilus, lentigo simplex) and may also occur in association with multiple congenital defects or congenital syndromes (e.g., Peutz-Jeghers syndrome).	0	4.08	3	1
Melanosis Disorders of increased melanin pigmentation that develop without preceding inflammatory disease.	0	4.65	6	1
Hyperpigmentation Excessive pigmentation of the skin, usually as a result of increased epidermal or dermal melanin pigmentation, hypermelanosis. Hyperpigmentation can be localized or generalized. The condition may arise from exposure to light, chemicals or other substances, or from a primary metabolic imbalance.	0	8.85	2	1
Leishmaniasis, American [description not available]	0	2.48	2	0
Leishmaniasis, Cutaneous An endemic disease that is characterized by the development of single or multiple localized lesions on exposed areas of skin that typically ulcerate. The disease has been divided into Old and New World forms. Old World leishmaniasis is separated into three distinct types according to epidemiology and clinical manifestations and is caused by species of the L. tropica and L. aethiopica complexes as well as by species of the L. major genus. New World leishmaniasis, also called American leishmaniasis, occurs in South and Central America and is caused by species of the L. mexicana or L. braziliensis complexes.	0	2.48	2	0
Hematologic Malignancies [description not available]	0	2.48	2	0
Hematologic Neoplasms Neoplasms located in the blood and blood-forming tissue (the bone marrow and lymphatic tissue). The commonest forms are the various types of LEUKEMIA, of LYMPHOMA, and of the progressive, life-threatening forms of the MYELODYSPLASTIC SYNDROMES.	0	2.48	2	0
Respiratory Syndrome, Acute, Severe [description not available]	0	2.44	2	0
Severe Acute Respiratory Syndrome A viral disorder characterized by high FEVER, dry COUGH, shortness of breath (DYSPNEA) or breathing difficulties, and atypical PNEUMONIA. A virus in the genus CORONAVIRUS is the suspected agent.	0	2.44	2	0
Cancer of the Thyroid [description not available]	0	7.6	12	1
Thyroid Neoplasms Tumors or cancer of the THYROID GLAND.	0	7.6	12	1
Cancer of Ovary [description not available]	0	6.03	28	0
Ovarian Neoplasms Tumors or cancer of the OVARY. These neoplasms can be benign or malignant. They are classified according to the tissue of origin, such as the surface EPITHELIUM, the stromal endocrine cells, and the totipotent GERM CELLS.	0	6.03	28	0
Colonic Polyps Discrete tissue masses that protrude into the lumen of the COLON. These POLYPS are connected to the wall of the colon either by a stalk, pedunculus, or by a broad base.	0	2.08	1	0
Acinetobacter Infections Infections with bacteria of the genus ACINETOBACTER.	0	2.08	1	0
Apical Ballooning Syndrome [description not available]	0	2.08	1	0
Airway Obstruction Any hindrance to the passage of air into and out of the lungs.	0	2.08	1	0
Acute Hypercapnic Respiratory Failure [description not available]	0	2.08	1	0
Nodular Goiter [description not available]	0	2.48	2	0
Tracheal Stenosis A pathological narrowing of the TRACHEA.	0	2.08	1	0
Goiter, Intrathoracic A goiter that grows behind the STERNUM and CLAVICLE.	0	2.08	1	0
Goiter, Nodular An enlarged THYROID GLAND containing multiple nodules (THYROID NODULE), usually resulting from recurrent thyroid HYPERPLASIA and involution over many years to produce the irregular enlargement. Multinodular goiters may be nontoxic or may induce THYROTOXICOSIS.	0	2.48	2	0
Myeloproliferative Disorders Conditions which cause proliferation of hemopoietically active tissue or of tissue which has embryonic hemopoietic potential. They all involve dysregulation of multipotent MYELOID PROGENITOR CELLS, most often caused by a mutation in the JAK2 PROTEIN TYROSINE KINASE.	0	6	25	0
Respiratory Insufficiency Failure to adequately provide oxygen to cells of the body and to remove excess carbon dioxide from them. (Stedman, 25th ed)	0	2.08	1	0
Takotsubo Cardiomyopathy A transient left ventricular apical dysfunction or ballooning accompanied by electrocardiographic (ECG) T wave inversions. This abnormality is associated with high levels of CATECHOLAMINES, either administered or endogenously secreted from a tumor or during extreme stress.	0	2.08	1	0
Collodion Baby Syndrome [description not available]	0	2.08	1	0
Infant, Newborn, Diseases Diseases of newborn infants present at birth (congenital) or developing within the first month of birth. It does not include hereditary diseases not manifesting at birth or within the first 30 days of life nor does it include inborn errors of metabolism. Both HEREDITARY DISEASES and METABOLISM, INBORN ERRORS are available as general concepts.	0	9.03	82	0
Ichthyosis, Lamellar A chronic, congenital ichthyosis inherited as an autosomal recessive trait. Infants are usually born encased in a collodion membrane which sheds within a few weeks. Scaling is generalized and marked with grayish-brown quadrilateral scales, adherent at their centers and free at the edges. In some cases, scales are so thick that they resemble armored plate.	0	2.08	1	0
Age-Related Memory Disorders [description not available]	0	2.92	4	0
Memory Disorders Disturbances in registering an impression, in the retention of an acquired impression, or in the recall of an impression. Memory impairments are associated with DEMENTIA; CRANIOCEREBRAL TRAUMA; ENCEPHALITIS; ALCOHOLISM (see also ALCOHOL AMNESTIC DISORDER); SCHIZOPHRENIA; and other conditions.	0	2.92	4	0
Angle Class III [description not available]	0	2.49	2	0
Cryptosporidium Infection [description not available]	0	2.08	1	0
Cryptosporidiosis Intestinal infection with organisms of the genus CRYPTOSPORIDIUM. It occurs in both animals and humans. Symptoms include severe DIARRHEA.	0	2.08	1	0
Atrophy, Muscle [description not available]	0	10.39	20	9
Muscular Atrophy Derangement in size and number of muscle fibers occurring with aging, reduction in blood supply, or following immobilization, prolonged weightlessness, malnutrition, and particularly in denervation.	0	10.39	20	9
Auricular Fibrillation [description not available]	0	3.47	1	1
Atrial Fibrillation Abnormal cardiac rhythm that is characterized by rapid, uncoordinated firing of electrical impulses in the upper chambers of the heart (HEART ATRIA). In such case, blood cannot be effectively pumped into the lower chambers of the heart (HEART VENTRICLES). It is caused by abnormal impulse generation.	0	3.47	1	1
Bile Duct Obstruction [description not available]	0	3.83	12	0
Cholestasis Impairment of bile flow due to obstruction in small bile ducts (INTRAHEPATIC CHOLESTASIS) or obstruction in large bile ducts (EXTRAHEPATIC CHOLESTASIS).	0	3.83	12	0
Alopecia Cicatrisata [description not available]	0	2.67	3	0
Failure to Thrive A condition of substandard growth or diminished capacity to maintain normal function.	0	2.08	1	0
Deficiency, Vitamin A [description not available]	0	3.2	6	0
Corneal Perforation A puncture or hole through the CORNEAL STROMA resulting from various diseases or trauma.	0	2.08	1	0
Infantile Diarrhea [description not available]	0	2.65	3	0
Alopecia Absence of hair from areas where it is normally present.	0	2.67	3	0
Diarrhea, Infantile DIARRHEA occurring in infants from newborn to 24-months old.	0	2.65	3	0
Vitamin A Deficiency A nutritional condition produced by a deficiency of VITAMIN A in the diet, characterized by NIGHT BLINDNESS and other ocular manifestations such as dryness of the conjunctiva and later of the cornea (XEROPHTHALMIA). Vitamin A deficiency is a very common problem worldwide, particularly in developing countries as a consequence of famine or shortages of vitamin A-rich foods. In the United States it is found among the urban poor, the elderly, alcoholics, and patients with malabsorption. (From Cecil Textbook of Medicine, 19th ed, p1179)	0	3.2	6	0
Dyslipidemia [description not available]	0	5.37	2	2
Diabetic Angiopathies VASCULAR DISEASES that are associated with DIABETES MELLITUS.	0	8.46	8	3
Dyslipidemias Abnormalities in the serum levels of LIPIDS, including overproduction or deficiency. Abnormal serum lipid profiles may include high total CHOLESTEROL, high TRIGLYCERIDES, low HIGH DENSITY LIPOPROTEIN CHOLESTEROL, and elevated LOW DENSITY LIPOPROTEIN CHOLESTEROL.	0	5.37	2	2
Connective Tissue Diseases A heterogeneous group of disorders, some hereditary, others acquired, characterized by abnormal structure or function of one or more of the elements of connective tissue, i.e., collagen, elastin, or the mucopolysaccharides.	0	2.37	2	0
Asphyxia Neonatorum Respiratory failure in the newborn. (Dorland, 27th ed)	0	2.08	1	0
Sarcoma, Epithelioid [description not available]	0	6.44	17	1
Sarcoma A connective tissue neoplasm formed by proliferation of mesodermal cells; it is usually highly malignant.	0	6.44	17	1
Heritable Pulmonary Arterial Hypertension [description not available]	0	2.1	1	0
Familial Primary Pulmonary Hypertension Familial or idiopathic hypertension in the PULMONARY CIRCULATION which is not secondary to other disease.	0	2.1	1	0
Albinism General term for a number of inherited defects of amino acid metabolism in which there is a deficiency or absence of pigment in the eyes, skin, or hair.	0	4.14	6	0
Cocaine Abuse [description not available]	0	3.84	2	1
Cocaine-Related Disorders Disorders related or resulting from use of cocaine.	0	3.84	2	1
Catarrh Inflammation of a mucous membrane with increased flow of mucous in humans or animals. Catarrh is used mostly in a historical context.	0	6.15	4	1
Common Cold A catarrhal disorder of the upper respiratory tract, which may be viral or a mixed infection. It generally involves a runny nose, nasal congestion, and sneezing.	0	6.15	4	1
Clear Cell Sarcoma of Soft Tissue [description not available]	0	2.77	3	0
Cancer of Muscle [description not available]	0	2.1	1	0
Sarcoma, Clear Cell A sarcoma of young adults occurring in the lower extremities and acral regions. It is found intimately bound to tendons as a circumscribed but unencapsulated melanin-bearing tumor of neuroectodermal origin. Clear cell sarcoma is associated with a specific t(12;22)(q13;q12) translocation.	0	2.77	3	0
Familial Waldenstrom's Macroglobulinaemia [description not available]	0	2.1	1	0
Waldenstrom Macroglobulinemia A lymphoproliferative disorder characterized by pleomorphic B-LYMPHOCYTES including PLASMA CELLS, with increased levels of monoclonal serum IMMUNOGLOBULIN M. There is lymphoplasmacytic cells infiltration into bone marrow and often other tissues, also known as lymphoplasmacytic lymphoma. Clinical features include ANEMIA; HEMORRHAGES; and hyperviscosity.	0	2.1	1	0
Atheroma [description not available]	0	2.49	2	0
Anemia, Fanconi [description not available]	0	2.81	3	0
Fanconi Anemia Congenital disorder affecting all bone marrow elements, resulting in ANEMIA; LEUKOPENIA; and THROMBOPENIA, and associated with cardiac, renal, and limb malformations as well as dermal pigmentary changes. Spontaneous CHROMOSOME BREAKAGE is a feature of this disease along with predisposition to LEUKEMIA. There are at least 7 complementation groups in Fanconi anemia: FANCA, FANCB, FANCC, FANCD1, FANCD2, FANCE, FANCF, FANCG, and FANCL. (from Online Mendelian Inheritance in Man, http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227650, August 20, 2004)	0	2.81	3	0
Anemia, Hemolytic, Acquired [description not available]	0	3.34	7	0
Cyanosis A bluish or purplish discoloration of the skin and mucous membranes due to an increase in the amount of deoxygenated hemoglobin in the blood or a structural defect in the hemoglobin molecule.	0	4.27	4	1
Enlarged Spleen [description not available]	0	3.47	8	0
Anemia, Hemolytic A condition of inadequate circulating red blood cells (ANEMIA) or insufficient HEMOGLOBIN due to premature destruction of red blood cells (ERYTHROCYTES).	0	3.34	7	0
Hemoglobinopathies A group of inherited disorders characterized by structural alterations within the hemoglobin molecule.	0	2.87	4	0
Minimal Disease, Residual [description not available]	0	3.48	1	1
Genetic Diseases, X-Chromosome Linked [description not available]	0	2.98	4	0
Anodontia Congenital absence of the teeth; it may involve all (total anodontia) or only some of the teeth (partial anodontia, hypodontia), and both the deciduous and the permanent dentition, or only teeth of the permanent dentition. (Dorland, 27th ed)	0	2.69	3	0
Acute Kidney Failure [description not available]	0	4.69	3	2
Acute Kidney Injury Abrupt reduction in kidney function. Acute kidney injury encompasses the entire spectrum of the syndrome including acute kidney failure; ACUTE KIDNEY TUBULAR NECROSIS; and other less severe conditions.	0	4.69	3	2
Acute Hepatic Failure [description not available]	0	3.83	2	1
Liver Failure, Acute A form of rapid-onset LIVER FAILURE, also known as fulminant hepatic failure, caused by severe liver injury or massive loss of HEPATOCYTES. It is characterized by sudden development of liver dysfunction and JAUNDICE. Acute liver failure may progress to exhibit cerebral dysfunction even HEPATIC COMA depending on the etiology that includes hepatic ISCHEMIA, drug toxicity, malignant infiltration, and viral hepatitis such as post-transfusion HEPATITIS B and HEPATITIS C.	0	3.83	2	1
Hypertrophy General increase in bulk of a part or organ due to CELL ENLARGEMENT and accumulation of FLUIDS AND SECRETIONS, not due to tumor formation, nor to an increase in the number of cells (HYPERPLASIA).	0	4.21	18	0
Hemorrhagic Shock [description not available]	0	2.1	1	0
Prognathism A condition marked by abnormal protrusion of the mandible. (Dorland, 27th ed)	0	2.1	1	0
Craniofacial Abnormalities Congenital structural deformities, malformations, or other abnormalities of the cranium and facial bones.	0	3.38	2	0
Bone Diseases, Developmental Diseases resulting in abnormal GROWTH or abnormal MORPHOGENESIS of BONES.	0	3.57	3	0
Hypertelorism Abnormal increase in the interorbital distance due to overdevelopment of the lesser wings of the sphenoid.	0	3.01	1	0
Abnormalities, Teeth [description not available]	0	3.71	3	0
Bone Hypertrophy [description not available]	0	3.01	1	0
Abortion, Tubal [description not available]	0	5.29	13	0
Abortion, Spontaneous Expulsion of the product of FERTILIZATION before completing the term of GESTATION and without deliberate interference.	0	5.29	13	0
Hypertriglyceridemia A condition of elevated levels of TRIGLYCERIDES in the blood.	0	4.04	5	0
Affective Disorders [description not available]	0	4.54	5	1
Mood Disorders Those disorders that have a disturbance in mood as their predominant feature.	0	4.54	5	1
Peripheral Nerve Injury [description not available]	0	2.1	1	0
Allodynia [description not available]	0	2.52	2	0
Nerve Pain [description not available]	0	2.46	2	0
Neuralgia Intense or aching pain that occurs along the course or distribution of a peripheral or cranial nerve.	0	2.46	2	0
Peripheral Nerve Injuries Injuries to the PERIPHERAL NERVES.	0	2.1	1	0
Herpes Simplex Virus Infection [description not available]	0	2.66	3	0
Herpes Simplex A group of acute infections caused by herpes simplex virus type 1 or type 2 that is characterized by the development of one or more small fluid-filled vesicles with a raised erythematous base on the skin or mucous membrane. It occurs as a primary infection or recurs due to a reactivation of a latent infection. (Dorland, 27th ed.)	0	7.66	3	0
Familial Precocious Puberty [description not available]	0	2.1	1	0
Puberty, Precocious Development of SEXUAL MATURATION in boys and girls at a chronological age that is 2.5 standard deviations below the mean age at onset of PUBERTY in the population. This early maturation of the hypothalamic-pituitary-gonadal axis results in sexual precocity, elevated serum levels of GONADOTROPINS and GONADAL STEROID HORMONES such as ESTRADIOL and TESTOSTERONE.	0	2.1	1	0
Kidney Stones [description not available]	0	2.38	2	0
Cystinuria An inherited disorder due to defective reabsorption of CYSTINE and other BASIC AMINO ACIDS by the PROXIMAL RENAL TUBULES. This form of aminoaciduria is characterized by the abnormally high urinary levels of cystine; LYSINE; ARGININE; and ORNITHINE. Mutations involve the amino acid transport protein gene SLC3A1.	0	5.42	15	0
Kidney Calculi Stones in the KIDNEY, usually formed in the urine-collecting area of the kidney (KIDNEY PELVIS). Their sizes vary and most contains CALCIUM OXALATE.	0	2.38	2	0
Academic Disorder, Developmental [description not available]	0	3.77	11	0
Learning Disabilities Conditions characterized by a significant discrepancy between an individual's perceived level of intellect and their ability to acquire new language and other cognitive skills. These may result from organic or psychological conditions. Relatively common subtypes include DYSLEXIA, DYSCALCULIA, and DYSGRAPHIA.	0	3.77	11	0
Water-Electrolyte Imbalance Disturbances in the body's WATER-ELECTROLYTE BALANCE.	0	2.1	1	0
Itching [description not available]	0	3.48	1	1
Erythema Redness of the skin produced by congestion of the capillaries. This condition may result from a variety of disease processes.	0	4.31	4	1
Pruritus An intense itching sensation that produces the urge to rub or scratch the skin to obtain relief.	0	3.48	1	1
Melanoma, Amelanotic An unpigmented malignant melanoma. It is an anaplastic melanoma consisting of cells derived from melanoblasts but not forming melanin. (Dorland, 27th ed; Stedman, 25th ed)	0	3.12	5	0
Candida Infection [description not available]	0	2.66	3	0
Candidiasis Infection with a fungus of the genus CANDIDA. It is usually a superficial infection of the moist areas of the body and is generally caused by CANDIDA ALBICANS. (Dorland, 27th ed)	0	2.66	3	0
Caries, Dental [description not available]	0	2.71	3	0
Dental Caries Localized destruction of the tooth surface initiated by decalcification of the enamel followed by enzymatic lysis of organic structures and leading to cavity formation. If left unchecked, the cavity may penetrate the enamel and dentin and reach the pulp.	0	2.71	3	0
Adenohypophyseal Diseases [description not available]	0	2.4	2	0
Pituitary Diseases Disorders involving either the ADENOHYPOPHYSIS or the NEUROHYPOPHYSIS. These diseases usually manifest as hypersecretion or hyposecretion of PITUITARY HORMONES. Neoplastic pituitary masses can also cause compression of the OPTIC CHIASM and other adjacent structures.	0	2.4	2	0
Condition, Preneoplastic [description not available]	0	3.86	12	0
Precancerous Conditions Pathological conditions that tend eventually to become malignant.	0	3.86	12	0
Carbon Tetrachloride Poisoning Poisoning that results from ingestion, injection, inhalation, or skin absorption of CARBON TETRACHLORIDE.	0	3.65	10	0
Leukemia, Lymphocytic [description not available]	0	5.17	19	0
Acute Promyelocytic Leukemia [description not available]	0	2.91	4	0
Leukemia, Lymphoid Leukemia associated with HYPERPLASIA of the lymphoid tissues and increased numbers of circulating malignant LYMPHOCYTES and lymphoblasts.	0	5.17	19	0
Leukemia, Promyelocytic, Acute An acute myeloid leukemia in which abnormal PROMYELOCYTES predominate. It is frequently associated with DISSEMINATED INTRAVASCULAR COAGULATION.	0	2.91	4	0
Infections, Respiratory Syncytial Virus [description not available]	0	2.49	2	0
Respiratory Syncytial Virus Infections Pneumovirus infections caused by the RESPIRATORY SYNCYTIAL VIRUSES. Humans and cattle are most affected but infections in goats and sheep have been reported.	0	2.49	2	0
Disruptive, Impulse Control, and Conduct Disorders Disorders whose essential features are the failure to resist an impulse, drive, or temptation to perform an act that is harmful to the individual or to others. Individuals experience an increased sense of tension prior to the act and pleasure, gratification or release of tension at the time of committing the act.	0	2.11	1	0
Anasarca [description not available]	0	3.76	11	0
Delayed Hypersensitivity [description not available]	0	3.35	7	0
Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.	0	3.76	11	0
Angiohemophilia [description not available]	0	2.71	3	0
von Willebrand Diseases Group of hemorrhagic disorders in which the VON WILLEBRAND FACTOR is either quantitatively or qualitatively abnormal. They are usually inherited as an autosomal dominant trait though rare kindreds are autosomal recessive. Symptoms vary depending on severity and disease type but may include prolonged bleeding time, deficiency of factor VIII, and impaired platelet adhesion.	0	2.71	3	0
Abdominal Aortic Aneurysm [description not available]	0	2.74	3	0
Aortic Aneurysm, Abdominal An abnormal balloon- or sac-like dilatation in the wall of the ABDOMINAL AORTA which gives rise to the visceral, the parietal, and the terminal (iliac) branches below the aortic hiatus at the diaphragm.	0	2.74	3	0
Cancer of Esophagus [description not available]	0	3.99	5	0
Esophageal Neoplasms Tumors or cancer of the ESOPHAGUS.	0	3.99	5	0
Arterial Diseases, Carotid [description not available]	0	4.17	3	1
Carotid Artery Narrowing [description not available]	0	2.11	1	0
Carotid Artery Diseases Pathological conditions involving the CAROTID ARTERIES, including the common, internal, and external carotid arteries. ATHEROSCLEROSIS and TRAUMA are relatively frequent causes of carotid artery pathology.	0	4.17	3	1
Carotid Stenosis Narrowing or stricture of any part of the CAROTID ARTERIES, most often due to atherosclerotic plaque formation. Ulcerations may form in atherosclerotic plaques and induce THROMBUS formation. Platelet or cholesterol emboli may arise from stenotic carotid lesions and induce a TRANSIENT ISCHEMIC ATTACK; CEREBROVASCULAR ACCIDENT; or temporary blindness (AMAUROSIS FUGAX). (From Adams et al., Principles of Neurology, 6th ed, pp 822-3)	0	2.11	1	0
Milk-Alkali Syndrome [description not available]	0	3.59	3	0
Hypercalcemia Abnormally high level of calcium in the blood.	0	8.59	3	0
Hypocalcemia Reduction of the blood calcium below normal. Manifestations include hyperactive deep tendon reflexes, Chvostek's sign, muscle and abdominal cramps, and carpopedal spasm. (Dorland, 27th ed)	0	2.1	1	0
Abnormalities, Autosome [description not available]	0	5.83	23	0
Thromboembolism, Venous [description not available]	0	5.7	2	1
Venous Thromboembolism Obstruction of a vein or VEINS (embolism) by a blood clot (THROMBUS) in the blood stream.	0	5.7	2	1
Brain Hemorrhage, Cerebral [description not available]	0	3.12	5	0
Meningitis, Meningococcal, Serogroup A [description not available]	0	2.43	2	0
Cerebral Hemorrhage Bleeding into one or both CEREBRAL HEMISPHERES including the BASAL GANGLIA and the CEREBRAL CORTEX. It is often associated with HYPERTENSION and CRANIOCEREBRAL TRAUMA.	0	3.12	5	0
Meningitis, Meningococcal A fulminant infection of the meninges and subarachnoid fluid by the bacterium NEISSERIA MENINGITIDIS, producing diffuse inflammation and peri-meningeal venous thromboses. Clinical manifestations include FEVER, nuchal rigidity, SEIZURES, severe HEADACHE, petechial rash, stupor, focal neurologic deficits, HYDROCEPHALUS, and COMA. The organism is usually transmitted via nasopharyngeal secretions and is a leading cause of meningitis in children and young adults. Organisms from Neisseria meningitidis serogroups A, B, C, Y, and W-135 have been reported to cause meningitis. (From Adams et al., Principles of Neurology, 6th ed, pp689-701; Curr Opin Pediatr 1998 Feb;10(1):13-8)	0	2.43	2	0
Thrombocythemia [description not available]	0	3.27	6	0
Neoplasms, Bone Marrow [description not available]	0	3.32	6	0
Bone Marrow Neoplasms Neoplasms located in the bone marrow. They are differentiated from neoplasms composed of bone marrow cells, such as MULTIPLE MYELOMA. Most bone marrow neoplasms are metastatic.	0	3.32	6	0
Familial Hyperinsulinemic Hypoglycemia 1 [description not available]	0	2.11	1	0
Congenital Hyperinsulinism A familial, nontransient HYPOGLYCEMIA with defects in negative feedback of GLUCOSE-regulated INSULIN release. Clinical phenotypes include HYPOGLYCEMIA; HYPERINSULINEMIA; SEIZURES; COMA; and often large BIRTH WEIGHT. Several sub-types exist with the most common, type 1, associated with mutations on an ATP-BINDING CASSETTE TRANSPORTERS (subfamily C, member 8).	0	7.11	1	0
Pulmonary Consumption [description not available]	0	2.9	4	0
Tuberculosis, Pulmonary MYCOBACTERIUM infections of the lung.	0	2.9	4	0
Poisoning Used with drugs, chemicals, and industrial materials for human or animal poisoning, acute or chronic, whether the poisoning is accidental, occupational, suicidal, by medication error, or by environmental exposure.	0	3.98	5	0
Intestinal Diseases, Parasitic Infections of the INTESTINES with PARASITES, commonly involving PARASITIC WORMS. Infections with roundworms (NEMATODE INFECTIONS) and tapeworms (CESTODE INFECTIONS) are also known as HELMINTHIASIS.	0	3.5	1	1
Endotoxemia A condition characterized by the presence of ENDOTOXINS in the blood. On lysis, the outer cell wall of gram-negative bacteria enters the systemic circulation and initiates a pathophysiologic cascade of pro-inflammatory mediators.	0	6.49	9	2
Left Ventricular Dysfunction [description not available]	0	2.11	1	0
Cardiac Remodeling, Ventricular [description not available]	0	2.46	2	0
Tachycardia, Supraventricular A generic expression for any tachycardia that originates above the BUNDLE OF HIS.	0	2.11	1	0
Ventricular Dysfunction, Left A condition in which the LEFT VENTRICLE of the heart was functionally impaired. This condition usually leads to HEART FAILURE; MYOCARDIAL INFARCTION; and other cardiovascular complications. Diagnosis is made by measuring the diminished ejection fraction and a depressed level of motility of the left ventricular wall.	0	2.11	1	0
Acquired Immune Deficiency Syndrome [description not available]	0	2.92	4	0
Acquired Immunodeficiency Syndrome An acquired defect of cellular immunity associated with infection by the human immunodeficiency virus (HIV), a CD4-positive T-lymphocyte count under 200 cells/microliter or less than 14% of total lymphocytes, and increased susceptibility to opportunistic infections and malignant neoplasms. Clinical manifestations also include emaciation (wasting) and dementia. These elements reflect criteria for AIDS as defined by the CDC in 1993.	0	2.92	4	0
Bacillus anthracis Infection [description not available]	0	3.65	3	0
Anthrax An acute infection caused by the spore-forming bacteria BACILLUS ANTHRACIS. It commonly affects hoofed animals such as sheep and goats. Infection in humans often involves the skin (cutaneous anthrax), the lungs (inhalation anthrax), or the gastrointestinal tract. Anthrax is not contagious and can be treated with antibiotics.	0	3.65	3	0
Classic Galactosemia [description not available]	0	6.43	24	0
Sterility, Female [description not available]	0	3.03	1	0
Galactosemias A group of inherited enzyme deficiencies which feature elevations of GALACTOSE in the blood. This condition may be associated with deficiencies of GALACTOKINASE; UDPGLUCOSE-HEXOSE-1-PHOSPHATE URIDYLYLTRANSFERASE; or UDPGLUCOSE 4-EPIMERASE. The classic form is caused by UDPglucose-Hexose-1-Phosphate Uridylyltransferase deficiency, and presents in infancy with FAILURE TO THRIVE; VOMITING; and INTRACRANIAL HYPERTENSION. Affected individuals also may develop MENTAL RETARDATION; JAUNDICE; hepatosplenomegaly; ovarian failure (PRIMARY OVARIAN INSUFFICIENCY); and cataracts. (From Menkes, Textbook of Child Neurology, 5th ed, pp61-3)	0	6.43	24	0
Infertility, Female Diminished or absent ability of a female to achieve conception.	0	3.03	1	0
Deficiency of Glucose-6-Phosphate Dehydrogenase [description not available]	0	3.58	3	0
Glucosephosphate Dehydrogenase Deficiency A disease-producing enzyme deficiency subject to many variants, some of which cause a deficiency of GLUCOSE-6-PHOSPHATE DEHYDROGENASE activity in erythrocytes, leading to hemolytic anemia.	0	3.58	3	0
Muscle Disorders [description not available]	0	3.26	6	0
Muscular Diseases Acquired, familial, and congenital disorders of SKELETAL MUSCLE and SMOOTH MUSCLE.	0	3.26	6	0
Trichocephaliasis [description not available]	0	2.11	1	0
Trichuriasis Infection with nematodes of the genus TRICHURIS, formerly called Trichocephalus.	0	2.11	1	0
Deficiency Diseases A condition produced by dietary or metabolic deficiency. The term includes all diseases caused by an insufficient supply of essential nutrients, i.e., protein (or amino acids), vitamins, and minerals. It also includes an inadequacy of calories. (From Dorland, 27th ed; Stedman, 25th ed)	0	7.07	47	0
Atherogenesis [description not available]	0	3.89	4	0
Atherosclerosis A thickening and loss of elasticity of the walls of ARTERIES that occurs with formation of ATHEROSCLEROTIC PLAQUES within the ARTERIAL INTIMA.	0	3.89	4	0
Encephalitis, Japanese B [description not available]	0	2.11	1	0
Encephalitis, Japanese A mosquito-borne encephalitis caused by the Japanese B encephalitis virus (ENCEPHALITIS VIRUS, JAPANESE) occurring throughout Eastern Asia and Australia. The majority of infections occur in children and are subclinical or have features limited to transient fever and gastrointestinal symptoms. Inflammation of the brain, spinal cord, and meninges may occur and lead to transient or permanent neurologic deficits (including a POLIOMYELITIS-like presentation); SEIZURES; COMA; and death. (From Adams et al., Principles of Neurology, 6th ed, p751; Lancet 1998 Apr 11;351(9109):1094-7)	0	2.11	1	0
Angioblastic Meningioma [description not available]	0	3.22	6	0
Neurilemoma [description not available]	0	2.73	3	0
Meningioma A relatively common neoplasm of the CENTRAL NERVOUS SYSTEM that arises from arachnoidal cells. The majority are well differentiated vascular tumors which grow slowly and have a low potential to be invasive, although malignant subtypes occur. Meningiomas have a predilection to arise from the parasagittal region, cerebral convexity, sphenoidal ridge, olfactory groove, and SPINAL CANAL. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2056-7)	0	3.22	6	0
Neurilemmoma A neoplasm that arises from SCHWANN CELLS of the cranial, peripheral, and autonomic nerves. Clinically, these tumors may present as a cranial neuropathy, abdominal or soft tissue mass, intracranial lesion, or with spinal cord compression. Histologically, these tumors are encapsulated, highly vascular, and composed of a homogenous pattern of biphasic fusiform-shaped cells that may have a palisaded appearance. (From DeVita Jr et al., Cancer: Principles and Practice of Oncology, 5th ed, pp964-5)	0	2.73	3	0
Genome Instability [description not available]	0	2.11	1	0
Tauopathies Neurodegenerative disorders involving deposition of abnormal tau protein isoforms (TAU PROTEINS) in neurons and glial cells in the brain. Pathological aggregations of tau proteins are associated with mutation of the tau gene on chromosome 17 in patients with ALZHEIMER DISEASE; DEMENTIA; PARKINSONIAN DISORDERS; progressive supranuclear palsy (SUPRANUCLEAR PALSY, PROGRESSIVE); and corticobasal degeneration.	0	7.47	2	0
Muscle Contraction A process leading to shortening and/or development of tension in muscle tissue. Muscle contraction occurs by a sliding filament mechanism whereby actin filaments slide inward among the myosin filaments.	0	9.65	46	4
Blood Diseases [description not available]	0	5.51	6	1
Hematologic Diseases Disorders of the blood and blood forming tissues.	0	5.51	6	1
Nerve Degeneration Loss of functional activity and trophic degeneration of nerve axons and their terminal arborizations following the destruction of their cells of origin or interruption of their continuity with these cells. The pathology is characteristic of neurodegenerative diseases. Often the process of nerve degeneration is studied in research on neuroanatomical localization and correlation of the neurophysiology of neural pathways.	0	3.59	9	0
Endotoxin Shock [description not available]	0	3.83	4	0
Shock, Septic Sepsis associated with HYPOTENSION or hypoperfusion despite adequate fluid resuscitation. Perfusion abnormalities may include but are not limited to LACTIC ACIDOSIS; OLIGURIA; or acute alteration in mental status.	0	3.83	4	0
Clerambault Syndrome [description not available]	0	2.88	4	0
Adolescent Obesity [description not available]	0	3.04	1	0
Dermatitis, Eczematous [description not available]	0	4.44	5	1
Eosinophilia, Tropical [description not available]	0	2.45	2	0
Stunted Growth [description not available]	0	8.01	21	2
Enlarged Liver [description not available]	0	3.46	8	0
Infections, Klebsiella [description not available]	0	2.4	2	0
Leukocytosis A transient increase in the number of leukocytes in a body fluid.	0	2.75	3	0
Disease, Pulmonary [description not available]	0	3.27	6	0
Cerebromeningitis [description not available]	0	3.33	2	0
Thrombopenia [description not available]	0	2.89	4	0
Eczema A pruritic papulovesicular dermatitis occurring as a reaction to many endogenous and exogenous agents (Dorland, 27th ed).	0	4.44	5	1
Eosinophilia Abnormal increase of EOSINOPHILS in the blood, tissues or organs.	0	2.45	2	0
Growth Disorders Deviations from the average values for a specific age and sex in any or all of the following: height, weight, skeletal proportions, osseous development, or maturation of features. Included here are both acceleration and retardation of growth.	0	8.01	21	2
Klebsiella Infections Infections with bacteria of the genus KLEBSIELLA.	0	2.4	2	0
Lung Diseases Pathological processes involving any part of the LUNG.	0	3.27	6	0
Thrombocytopenia A subnormal level of BLOOD PLATELETS.	0	2.89	4	0
Blood Clot [description not available]	0	4.01	14	0
Cardiovascular Pregnancy Complications [description not available]	0	2.39	2	0
Thrombosis Formation and development of a thrombus or blood clot in the blood vessel.	0	4.01	14	0
Lymphocytopenia [description not available]	0	5.26	6	0
B-Cell Leukemia [description not available]	0	5.17	5	0
Lymphopenia Reduction in the number of lymphocytes.	0	5.26	6	0
Cancer of Larynx [description not available]	0	2.87	4	0
Laryngeal Neoplasms Cancers or tumors of the LARYNX or any of its parts: the GLOTTIS; EPIGLOTTIS; LARYNGEAL CARTILAGES; LARYNGEAL MUSCLES; and VOCAL CORDS.	0	2.87	4	0
Convalescence The period of recovery following an illness.	0	2.48	2	0
Anorexia Nervosa An eating disorder that is characterized by the lack or loss of APPETITE, known as ANOREXIA. Other features include excess fear of becoming OVERWEIGHT; BODY IMAGE disturbance; significant WEIGHT LOSS; refusal to maintain minimal normal weight; and AMENORRHEA. This disorder occurs most frequently in adolescent females. (APA, Thesaurus of Psychological Index Terms, 1994)	0	3.13	5	0
Cancer of the Urinary Tract [description not available]	0	2.13	1	0
Abdominal Obesity [description not available]	0	4.81	2	1
Frontotemporal Lobar Degeneration Heterogeneous group of neurodegenerative disorders characterized by frontal and temporal lobe atrophy associated with neuronal loss, gliosis, and dementia. Patients exhibit progressive changes in social, behavioral, and/or language function. Multiple subtypes or forms are recognized based on presence or absence of TAU PROTEIN inclusions. FTLD includes three clinical syndromes: FRONTOTEMPORAL DEMENTIA, semantic dementia, and PRIMARY PROGRESSIVE NONFLUENT APHASIA.	0	2.49	2	0
Toxoplasmosis, Animal Acquired infection of non-human animals by organisms of the genus TOXOPLASMA.	0	2.44	2	0
Callous-Unemotional Traits [description not available]	0	2.13	1	0
Attention Deficit and Disruptive Behavioral Disorders [description not available]	0	2.13	1	0
Conduct Disorder A repetitive and persistent pattern of behavior in which the basic rights of others or major age-appropriate societal norms or rules are violated. These behaviors include aggressive conduct that causes or threatens physical harm to other people or animals, nonaggressive conduct that causes property loss or damage, deceitfulness or theft, and serious violations of rules. The onset is before age 18. (From DSM-IV, 1994)	0	2.13	1	0
Attention Deficit and Disruptive Behavior Disorders Includes two similar disorders: oppositional defiant disorder and CONDUCT DISORDERS. Symptoms occurring in children with these disorders include: defiance of authority figures, angry outbursts, and other antisocial behaviors.	0	2.13	1	0
Intraocular Pressure The pressure of the fluids in the eye.	0	7.55	4	4
Adhesions, Tissue [description not available]	0	2.15	1	0
Edema, Laryngeal [description not available]	0	3.51	1	1
Mucositis, Oral [description not available]	0	3.51	1	1
Laryngeal Edema Abnormal accumulation of fluid in tissues of any part of the LARYNX, commonly associated with laryngeal injuries and allergic reactions.	0	3.51	1	1
Stomatitis INFLAMMATION of the soft tissues of the MOUTH, such as MUCOSA; PALATE; GINGIVA; and LIP.	0	3.51	1	1
Cardiomyopathy, Hypertrophic Obstructive [description not available]	0	2.72	3	0
Cardiomyopathy, Hypertrophic A form of CARDIAC MUSCLE disease, characterized by left and/or right ventricular hypertrophy (HYPERTROPHY, LEFT VENTRICULAR; HYPERTROPHY, RIGHT VENTRICULAR), frequent asymmetrical involvement of the HEART SEPTUM, and normal or reduced left ventricular volume. Risk factors include HYPERTENSION; AORTIC STENOSIS; and gene MUTATION; (FAMILIAL HYPERTROPHIC CARDIOMYOPATHY).	0	2.72	3	0
Alcohol Abuse [description not available]	0	4.74	7	1
Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.	0	5.72	11	2
Alcoholism A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4)	0	4.74	7	1
Fibrosarcoma A sarcoma derived from deep fibrous tissue, characterized by bundles of immature proliferating fibroblasts with variable collagen formation, which tends to invade locally and metastasize by the bloodstream. (Stedman, 25th ed)	0	3.76	11	0
Visceral Pain Pain originating from internal organs (VISCERA) associated with autonomic phenomena (PALLOR; SWEATING; NAUSEA; and VOMITING). It often becomes a REFERRED PAIN.	0	3.46	2	0
Developmental Psychomotor Disorders [description not available]	0	5.79	8	1
Anemia, Hypoplastic [description not available]	0	4.12	6	0
Lymph Node Metastasis [description not available]	0	3.68	10	0
Cancer of Mediastinum [description not available]	0	2.13	1	0
Anemia, Aplastic A form of anemia in which the bone marrow fails to produce adequate numbers of peripheral blood elements.	0	4.12	6	0
Mediastinal Neoplasms Tumors or cancer of the MEDIASTINUM.	0	2.13	1	0
Delirium of Mixed Origin [description not available]	0	5.36	7	0
Delirium A disorder characterized by CONFUSION; inattentiveness; disorientation; ILLUSIONS; HALLUCINATIONS; agitation; and in some instances autonomic nervous system overactivity. It may result from toxic/metabolic conditions or structural brain lesions. (From Adams et al., Principles of Neurology, 6th ed, pp411-2)	0	5.36	7	0
Peritoneal Carcinomatosis [description not available]	0	2.44	2	0
Peritoneal Neoplasms Tumors or cancer of the PERITONEUM.	0	2.44	2	0
Asymptomatic Conditions [description not available]	0	2.13	1	0
Allergic Contact Dermatitis [description not available]	0	7.13	1	0
Dermatitis, Allergic Contact A contact dermatitis due to allergic sensitization to various substances. These substances subsequently produce inflammatory reactions in the skin of those who have acquired hypersensitivity to them as a result of prior exposure.	0	2.13	1	0
Infections, Respiratory [description not available]	0	5.88	3	1
Respiratory Tract Infections Invasion of the host RESPIRATORY SYSTEM by microorganisms, usually leading to pathological processes or diseases.	0	5.88	3	1
Sphincter of Oddi Dysfunction Organic or functional motility disorder involving the SPHINCTER OF ODDI and associated with biliary COLIC. Pathological changes are most often seen in the COMMON BILE DUCT sphincter, and less commonly the PANCREATIC DUCT sphincter.	0	3.53	1	1
Muscle Spasm [description not available]	0	4.27	4	1
Spasm An involuntary contraction of a muscle or group of muscles. Spasms may involve SKELETAL MUSCLE or SMOOTH MUSCLE.	0	4.27	4	1
Alexia [description not available]	0	2.39	2	0
Hemiplegia, Crossed [description not available]	0	2.43	2	0
Hemiplegia Severe or complete loss of motor function on one side of the body. This condition is usually caused by BRAIN DISEASES that are localized to the cerebral hemisphere opposite to the side of weakness. Less frequently, BRAIN STEM lesions; cervical SPINAL CORD DISEASES; PERIPHERAL NERVOUS SYSTEM DISEASES; and other conditions may manifest as hemiplegia. The term hemiparesis (see PARESIS) refers to mild to moderate weakness involving one side of the body.	0	2.43	2	0
Autosomal Hemophilia A [description not available]	0	2.76	3	0
Hemophilia A The classic hemophilia resulting from a deficiency of factor VIII. It is an inherited disorder of blood coagulation characterized by a permanent tendency to hemorrhage.	0	2.76	3	0
Eye Pain A dull or sharp painful sensation associated with the outer or inner structures of the eyeball, having different causes.	0	7.58	4	4
Mastitis, Bovine INFLAMMATION of the UDDER in cows.	0	2.42	2	0
Anoxia-Ischemia, Brain [description not available]	0	2.15	1	0
Brain Vascular Disorders [description not available]	0	2.42	2	0
Cerebrovascular Disorders A spectrum of pathological conditions of impaired blood flow in the brain. They can involve vessels (ARTERIES or VEINS) in the CEREBRUM, the CEREBELLUM, and the BRAIN STEM. Major categories include INTRACRANIAL ARTERIOVENOUS MALFORMATIONS; BRAIN ISCHEMIA; CEREBRAL HEMORRHAGE; and others.	0	2.42	2	0
Hypoxia-Ischemia, Brain A disorder characterized by a reduction of oxygen in the blood combined with reduced blood flow (ISCHEMIA) to the brain from a localized obstruction of a cerebral artery or from systemic hypoperfusion. Prolonged hypoxia-ischemia is associated with ISCHEMIC ATTACK, TRANSIENT; BRAIN INFARCTION; BRAIN EDEMA; COMA; and other conditions.	0	2.15	1	0
B cepacia Infection [description not available]	0	2.15	1	0
Abdominal Migraine [description not available]	0	7.12	8	2
Migraine Disorders A class of disabling primary headache disorders, characterized by recurrent unilateral pulsatile headaches. The two major subtypes are common migraine (without aura) and classic migraine (with aura or neurological symptoms). (International Classification of Headache Disorders, 2nd ed. Cephalalgia 2004: suppl 1)	0	7.12	8	2
Fungal Diseases [description not available]	0	3.58	3	0
Mycoses Diseases caused by FUNGI.	0	3.58	3	0
Inadequate Sleep [description not available]	0	3.79	4	0
Sterility, Male [description not available]	0	2.15	1	0
Infertility, Male The inability of the male to effect FERTILIZATION of an OVUM after a specified period of unprotected intercourse. Male sterility is permanent infertility.	0	2.15	1	0
Agitation, Psychomotor [description not available]	0	2.4	2	0
Psychomotor Agitation A feeling of restlessness associated with increased motor activity. This may occur as a manifestation of nervous system drug toxicity or other conditions.	0	2.4	2	0
Abnormalities, Musculoskeletal [description not available]	0	2.44	2	0
Cruveilhier-Baumgarten Syndrome Liver cirrhosis with intrahepatic portal obstruction, HYPERTENSION, and patent UMBILICAL VEINS.	0	3.46	8	0
Hypertension, Portal Abnormal increase of resistance to blood flow within the hepatic PORTAL SYSTEM, frequently seen in LIVER CIRRHOSIS and conditions with obstruction of the PORTAL VEIN.	0	3.46	8	0
Epiphora [description not available]	0	2.46	2	0
Lacrimal Apparatus Diseases Diseases of the LACRIMAL APPARATUS.	0	2.46	2	0
Electrolytes Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed)	0	7.54	20	3
Cancer of the Uterus [description not available]	0	5.42	15	1
Cystadenocarcinoma A malignant neoplasm derived from glandular epithelium, in which cystic accumulations of retained secretions are formed. The neoplastic cells manifest varying degrees of anaplasia and invasiveness, and local extension and metastases occur. Cystadenocarcinomas develop frequently in the ovaries, where pseudomucinous and serous types are recognized. (Stedman, 25th ed)	0	2.04	1	0
Uterine Neoplasms Tumors or cancer of the UTERUS.	0	5.42	15	1
Autosomal Dominant Cerebellar Ataxia, Type II [description not available]	0	2.44	2	0
Spinocerebellar Ataxias A group of predominately late-onset, cerebellar ataxias which have been divided into multiple subtypes based on clinical features and genetic mapping. Progressive ataxia is a central feature of these conditions, and in certain subtypes POLYNEUROPATHY; DYSARTHRIA; visual loss; and other disorders may develop. (From Joynt, Clinical Neurology, 1997, Ch65, pp 12-17; J Neuropathol Exp Neurol 1998 Jun;57(6):531-43)	0	2.44	2	0
BOF Syndrome [description not available]	0	2.04	1	0
Eye Abnormalities Congenital absence of or defects in structures of the eye; may also be hereditary.	0	3.29	2	0
Deaf Mutism [description not available]	0	3.77	2	1
Cochlear Hearing Loss [description not available]	0	2.74	3	0
Hyperkeratosis Palmaris et Plantaris [description not available]	0	2.88	4	0
Deafness A general term for the complete loss of the ability to hear from both ears.	0	3.77	2	1
Hearing Loss, Sensorineural Hearing loss resulting from damage to the COCHLEA and the sensorineural elements which lie internally beyond the oval and round windows. These elements include the AUDITORY NERVE and its connections in the BRAINSTEM.	0	2.74	3	0
Cataract, Membranous [description not available]	0	4.65	11	0
Cataract Partial or complete opacity on or in the lens or capsule of one or both eyes, impairing vision or causing blindness. The many kinds of cataract are classified by their morphology (size, shape, location) or etiology (cause and time of occurrence). (Dorland, 27th ed)	0	4.65	11	0
Sprains [description not available]	0	1.92	1	0
Sprains and Strains A collective term for muscle and ligament injuries without dislocation or fracture. A sprain is a joint injury in which some of the fibers of a supporting ligament are ruptured but the continuity of the ligament remains intact. A strain is an overstretching or overexertion of some part of the musculature.	0	1.92	1	0
Fibrillary Chorea [description not available]	0	2.04	1	0
Attachment Loss, Periodontal [description not available]	0	2.05	1	0
Adult Periodontitis [description not available]	0	2.05	1	0
Dental Plaque A film that attaches to teeth, often causing DENTAL CARIES and GINGIVITIS. It is composed of MUCINS, secreted from salivary glands, and microorganisms.	0	2.41	2	0
Pocket, Periodontal [description not available]	0	2.7	3	0
Aggressive Periodontitis Inflammation and loss of PERIODONTIUM that is characterized by rapid attachment loss and bone destruction in the presence of little local factors such as DENTAL PLAQUE and DENTAL CALCULUS. This highly destructive form of periodontitis often occurs in young people and was called early-onset periodontitis, but this disease also appears in old people.	0	2.73	3	0
Hemorrhage, Gingival [description not available]	0	2.05	1	0
Gingival Hemorrhage The flowing of blood from the marginal gingival area, particularly the sulcus, seen in such conditions as GINGIVITIS, marginal PERIODONTITIS, injury, and ASCORBIC ACID DEFICIENCY.	0	2.05	1	0
Periodontal Pocket An abnormal extension of a gingival sulcus accompanied by the apical migration of the epithelial attachment and bone resorption.	0	2.7	3	0
Colitis, Granulomatous [description not available]	0	2.96	4	0
Crohn Disease A chronic transmural inflammation that may involve any part of the DIGESTIVE TRACT from MOUTH to ANUS, mostly found in the ILEUM, the CECUM, and the COLON. In Crohn disease, the inflammation, extending through the intestinal wall from the MUCOSA to the serosa, is characteristically asymmetric and segmental. Epithelioid GRANULOMAS may be seen in some patients.	0	2.96	4	0
Dancing Eyes-Dancing Feet Syndrome [description not available]	0	3.43	1	1
Opsoclonus-Myoclonus Syndrome A neurological condition that is characterized by uncontrolled rapid irregular movements of the eye (OPSOCLONUS) and the muscle (MYOCLONUS) causing unsteady, trembling gait. It is also known as dancing eyes-dancing feet syndrome and is often associated with neoplasms, viral infections, or autoimmune disorders involving the nervous system.	0	3.43	1	1
B-Cell Lymphoma [description not available]	0	3.26	6	0
Lymphoma, B-Cell A group of heterogeneous lymphoid tumors generally expressing one or more B-cell antigens or representing malignant transformations of B-lymphocytes.	0	3.26	6	0
Chromosome Deletion Actual loss of portion of a chromosome.	0	5.04	16	0
Acute Post-operative Pain [description not available]	0	2.05	1	0
Pain, Postoperative Pain during the period after surgery.	0	2.05	1	0
BCKD Deficiency [description not available]	0	8.99	48	1
Maple Syrup Urine Disease An autosomal recessive inherited disorder with multiple forms of phenotypic expression, caused by a defect in the oxidative decarboxylation of branched-chain amino acids (AMINO ACIDS, BRANCHED-CHAIN). These metabolites accumulate in body fluids and render a maple syrup odor. The disease is divided into classic, intermediate, intermittent, and thiamine responsive subtypes. The classic form presents in the first week of life with ketoacidosis, hypoglycemia, emesis, neonatal seizures, and hypertonia. The intermediate and intermittent forms present in childhood or later with acute episodes of ataxia and vomiting. (From Adams et al., Principles of Neurology, 6th ed, p936)	0	8.99	48	1
Brain Inflammation [description not available]	0	2.9	4	0
Astrocytosis [description not available]	0	2.42	2	0
Encephalitis Inflammation of the BRAIN due to infection, autoimmune processes, toxins, and other conditions. Viral infections (see ENCEPHALITIS, VIRAL) are a relatively frequent cause of this condition.	0	2.9	4	0
Rida [description not available]	0	2.37	2	0
Acute Necrotizing Pancreatitis [description not available]	0	2.43	2	0
Ileal Diseases Pathological development in the ILEUM including the ILEOCECAL VALVE.	0	2.05	1	0
47,XX,+21 [description not available]	0	3.66	10	0
Hydrothorax A collection of watery fluid in the pleural cavity. (Dorland, 27th ed)	0	2.05	1	0
Down Syndrome A chromosome disorder associated either with an extra chromosome 21 or an effective trisomy for chromosome 21. Clinical manifestations include hypotonia, short stature, brachycephaly, upslanting palpebral fissures, epicanthus, Brushfield spots on the iris, protruding tongue, small ears, short, broad hands, fifth finger clinodactyly, Simian crease, and moderate to severe INTELLECTUAL DISABILITY. Cardiac and gastrointestinal malformations, a marked increase in the incidence of LEUKEMIA, and the early onset of ALZHEIMER DISEASE are also associated with this condition. Pathologic features include the development of NEUROFIBRILLARY TANGLES in neurons and the deposition of AMYLOID BETA-PROTEIN, similar to the pathology of ALZHEIMER DISEASE. (Menkes, Textbook of Child Neurology, 5th ed, p213)	0	3.66	10	0
Ph 1 Chromosome [description not available]	0	3.38	2	0
Schistosoma mansoni Infection [description not available]	0	2.73	3	0
Schistosomiasis mansoni Schistosomiasis caused by Schistosoma mansoni. It is endemic in Africa, the Middle East, South America, and the Caribbean and affects mainly the bowel, spleen, and liver.	0	2.73	3	0
Budd-Chiari Syndrome A condition in which the hepatic venous outflow is obstructed anywhere from the small HEPATIC VEINS to the junction of the INFERIOR VENA CAVA and the RIGHT ATRIUM. Usually the blockage is extrahepatic and caused by blood clots (THROMBUS) or fibrous webs. Parenchymal FIBROSIS is uncommon.	0	2.05	1	0
Thrombocytopathy [description not available]	0	2.05	1	0
Blood Platelet Disorders Disorders caused by abnormalities in platelet count or function.	0	2.05	1	0
Anterior Horn Cell Disease [description not available]	0	2.73	3	0
Motor Neuron Disease Diseases characterized by a selective degeneration of the motor neurons of the spinal cord, brainstem, or motor cortex. Clinical subtypes are distinguished by the major site of degeneration. In AMYOTROPHIC LATERAL SCLEROSIS there is involvement of upper, lower, and brainstem motor neurons. In progressive muscular atrophy and related syndromes (see MUSCULAR ATROPHY, SPINAL) the motor neurons in the spinal cord are primarily affected. With progressive bulbar palsy (BULBAR PALSY, PROGRESSIVE), the initial degeneration occurs in the brainstem. In primary lateral sclerosis, the cortical neurons are affected in isolation. (Adams et al., Principles of Neurology, 6th ed, p1089)	0	2.73	3	0
Anaplastic Astrocytoma [description not available]	0	3.24	6	0
Astrocytoma Neoplasms of the brain and spinal cord derived from glial cells which vary from histologically benign forms to highly anaplastic and malignant tumors. Fibrillary astrocytomas are the most common type and may be classified in order of increasing malignancy (grades I through IV). In the first two decades of life, astrocytomas tend to originate in the cerebellar hemispheres; in adults, they most frequently arise in the cerebrum and frequently undergo malignant transformation. (From Devita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2013-7; Holland et al., Cancer Medicine, 3d ed, p1082)	0	3.24	6	0
Cancer, Second Primary [description not available]	0	2.05	1	0
B16 Melanoma [description not available]	0	11.26	35	0
Injuries, Radiation [description not available]	0	2.89	4	0
Injuries, Spinal Cord [description not available]	0	2.05	1	0
Intradural-Extramedullary Spinal Cord Neoplasms [description not available]	0	2.42	2	0
Spinal Cord Injuries Penetrating and non-penetrating injuries to the spinal cord resulting from traumatic external forces (e.g., WOUNDS, GUNSHOT; WHIPLASH INJURIES; etc.).	0	2.05	1	0
Spinal Cord Neoplasms Benign and malignant neoplasms which occur within the substance of the spinal cord (intramedullary neoplasms) or in the space between the dura and spinal cord (intradural extramedullary neoplasms). The majority of intramedullary spinal tumors are primary CNS neoplasms including ASTROCYTOMA; EPENDYMOMA; and LIPOMA. Intramedullary neoplasms are often associated with SYRINGOMYELIA. The most frequent histologic types of intradural-extramedullary tumors are MENINGIOMA and NEUROFIBROMA.	0	2.42	2	0
Cardiomyopathy, Congestive [description not available]	0	2.42	2	0
Cancer of Rectum [description not available]	0	2.05	1	0
Cardiomyopathy, Dilated A form of CARDIAC MUSCLE disease that is characterized by ventricular dilation, VENTRICULAR DYSFUNCTION, and HEART FAILURE. Risk factors include SMOKING; ALCOHOL DRINKING; HYPERTENSION; INFECTION; PREGNANCY; and mutations in the LMNA gene encoding LAMIN TYPE A, a NUCLEAR LAMINA protein.	0	2.42	2	0
Rectal Neoplasms Tumors or cancer of the RECTUM.	0	2.05	1	0
Osteogenic Sarcoma [description not available]	0	3.57	9	0
Osteosarcoma A sarcoma originating in bone-forming cells, affecting the ends of long bones. It is the most common and most malignant of sarcomas of the bones, and occurs chiefly among 10- to 25-year-old youths. (From Stedman, 25th ed)	0	8.57	9	0
Cancer of Cervix [description not available]	0	3.92	13	0
Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX.	0	3.92	13	0
Leukocytopenia [description not available]	0	2.05	1	0
Leukopenia A decrease in the number of LEUKOCYTES in a blood sample below the normal range (LEUKOCYTE COUNT less than 4000).	0	2.05	1	0
Intraventricular Septal Defects [description not available]	0	3.32	2	0
Heart Septal Defects, Ventricular Developmental abnormalities in any portion of the VENTRICULAR SEPTUM resulting in abnormal communications between the two lower chambers of the heart. Classification of ventricular septal defects is based on location of the communication, such as perimembranous, inlet, outlet (infundibular), central muscular, marginal muscular, or apical muscular defect.	0	3.32	2	0
Cancer of Parathyroid [description not available]	0	2.05	1	0
Parathyroid Neoplasms Tumors or cancer of the PARATHYROID GLANDS.	0	2.05	1	0
Injuries Used with anatomic headings, animals, and sports for wounds and injuries. Excludes cell damage, for which pathology is used.	0	6.1	11	1
Wounds and Injuries Damage inflicted on the body as the direct or indirect result of an external force, with or without disruption of structural continuity.	0	6.1	11	1
Chromosomal Instability An increased tendency to acquire CHROMOSOME ABERRATIONS when various processes involved in chromosome replication, repair, or segregation are dysfunctional.	0	2.05	1	0
Compensatory Hyperinsulinemia A GLUCOSE-induced HYPERINSULINEMIA, a marker of insulin-resistant state. It is a mechanism to compensate for reduced sensitivity to insulin.	0	9.49	15	4
Hyperinsulinism A syndrome with excessively high INSULIN levels in the BLOOD. It may cause HYPOGLYCEMIA. Etiology of hyperinsulinism varies, including hypersecretion of a beta cell tumor (INSULINOMA); autoantibodies against insulin (INSULIN ANTIBODIES); defective insulin receptor (INSULIN RESISTANCE); or overuse of exogenous insulin or HYPOGLYCEMIC AGENTS.	0	9.49	15	4
Cystitis Inflammation of the URINARY BLADDER, either from bacterial or non-bacterial causes. Cystitis is usually associated with painful urination (dysuria), increased frequency, urgency, and suprapubic pain.	0	2.05	1	0
Edema, Pulmonary [description not available]	0	2.44	2	0
Inhalation Injury, Smoke [description not available]	0	2.05	1	0
Pulmonary Edema Excessive accumulation of extravascular fluid in the lung, an indication of a serious underlying disease or disorder. Pulmonary edema prevents efficient PULMONARY GAS EXCHANGE in the PULMONARY ALVEOLI, and can be life-threatening.	0	2.44	2	0
Cat Diseases Diseases of the domestic cat (Felis catus or F. domesticus). This term does not include diseases of the so-called big cats such as CHEETAHS; LIONS; tigers, cougars, panthers, leopards, and other Felidae for which the heading CARNIVORA is used.	0	2.94	4	0
American Trypanosomiasis [description not available]	0	4.14	3	0
Chagas Disease Infection with the protozoan parasite TRYPANOSOMA CRUZI, a form of TRYPANOSOMIASIS endemic in Central and South America. It is named after the Brazilian physician Carlos Chagas, who discovered the parasite. Infection by the parasite (positive serologic result only) is distinguished from the clinical manifestations that develop years later, such as destruction of PARASYMPATHETIC GANGLIA; CHAGAS CARDIOMYOPATHY; and dysfunction of the ESOPHAGUS or COLON.	0	4.14	3	0
HbS Disease [description not available]	0	5.98	15	0
Anemia, Sickle Cell A disease characterized by chronic hemolytic anemia, episodic painful crises, and pathologic involvement of many organs. It is the clinical expression of homozygosity for hemoglobin S.	0	5.98	15	0
Dysmyelopoietic Syndromes [description not available]	0	3.38	2	0
Myelodysplastic Syndromes Clonal hematopoietic stem cell disorders characterized by dysplasia in one or more hematopoietic cell lineages. They predominantly affect patients over 60, are considered preleukemic conditions, and have high probability of transformation into ACUTE MYELOID LEUKEMIA.	0	3.38	2	0
MEA 2a [description not available]	0	2.43	2	0
Disease A definite pathologic process with a characteristic set of signs and symptoms. It may affect the whole body or any of its parts, and its etiology, pathology, and prognosis may be known or unknown.	0	2.65	3	0
Aganglionic Megacolon [description not available]	0	2.05	1	0
Hirschsprung Disease Congenital MEGACOLON resulting from the absence of ganglion cells (aganglionosis) in a distal segment of the LARGE INTESTINE. The aganglionic segment is permanently contracted thus causing dilatation proximal to it. In most cases, the aganglionic segment is within the RECTUM and SIGMOID COLON.	0	2.05	1	0
Carcinoma, Medullary A carcinoma composed mainly of epithelial elements with little or no stroma. Medullary carcinomas of the breast constitute 5%-7% of all mammary carcinomas; medullary carcinomas of the thyroid comprise 3%-10% of all thyroid malignancies. (From Dorland, 27th ed; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1141; Segen, Dictionary of Modern Medicine, 1992)	0	2.05	1	0
Anterior Circulation Transient Ischemic Attack [description not available]	0	3.09	5	0
Ischemic Attack, Transient Brief reversible episodes of focal, nonconvulsive ischemic dysfunction of the brain having a duration of less than 24 hours, and usually less than one hour, caused by transient thrombotic or embolic blood vessel occlusion or stenosis. Events may be classified by arterial distribution, temporal pattern, or etiology (e.g., embolic vs. thrombotic). (From Adams et al., Principles of Neurology, 6th ed, pp814-6)	0	3.09	5	0
Grippe [description not available]	0	2.34	2	0
Influenza, Human An acute viral infection in humans involving the respiratory tract. It is marked by inflammation of the NASAL MUCOSA; the PHARYNX; and conjunctiva, and by headache and severe, often generalized, myalgia.	0	2.34	2	0
Facial Dermatoses Skin diseases involving the FACE.	0	3.43	1	1
Ambulation Disorders, Neurologic [description not available]	0	2.05	1	0
Rupture Forcible or traumatic tear or break of an organ or other soft part of the body.	0	2.05	1	0
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted [description not available]	0	2.92	4	0
Hepatitis C INFLAMMATION of the LIVER in humans caused by HEPATITIS C VIRUS, a single-stranded RNA virus. Its incubation period is 30-90 days. Hepatitis C is transmitted primarily by contaminated blood parenterally and is often associated with transfusion and intravenous drug abuse. However, in a significant number of cases, the source of hepatitis C infection is unknown.	0	2.92	4	0
Prediabetes [description not available]	0	6.16	4	3
Prediabetic State The time period before the development of symptomatic diabetes. For example, certain risk factors can be observed in subjects who subsequently develop INSULIN RESISTANCE as in type 2 diabetes (DIABETES MELLITUS, TYPE 2).	0	6.16	4	3
Benign Frontal Childhood Epilepsy [description not available]	0	2.42	2	0
Complication, Postoperative [description not available]	0	4.61	6	1
Postoperative Complications Pathologic processes that affect patients after a surgical procedure. They may or may not be related to the disease for which the surgery was done, and they may or may not be direct results of the surgery.	0	4.61	6	1
Carcinoma, Anaplastic [description not available]	0	6.06	29	0
Cancer of Jaw [description not available]	0	2.05	1	0
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	0	11.06	29	0
Hyperparathyroidism A condition of abnormally elevated output of PARATHYROID HORMONE (or PTH) triggering responses that increase blood CALCIUM. It is characterized by HYPERCALCEMIA and BONE RESORPTION, eventually leading to bone diseases. PRIMARY HYPERPARATHYROIDISM is caused by parathyroid HYPERPLASIA or PARATHYROID NEOPLASMS. SECONDARY HYPERPARATHYROIDISM is increased PTH secretion in response to HYPOCALCEMIA, usually caused by chronic KIDNEY DISEASES.	0	2.05	1	0
48,XXYY Syndrome [description not available]	0	2.05	1	0
Klinefelter Syndrome A form of male HYPOGONADISM, characterized by the presence of an extra X CHROMOSOME, small TESTES, seminiferous tubule dysgenesis, elevated levels of GONADOTROPINS, low serum TESTOSTERONE, underdeveloped secondary sex characteristics, and male infertility (INFERTILITY, MALE). Patients tend to have long legs and a slim, tall stature. GYNECOMASTIA is present in many of the patients. The classic form has the karyotype 47,XXY. Several karyotype variants include 48,XXYY; 48,XXXY; 49,XXXXY, and mosaic patterns ( 46,XY/47,XXY; 47,XXY/48,XXXY, etc.).	0	2.05	1	0
Corneal Diseases Diseases of the cornea.	0	2.05	1	0
Cystine Diathesis [description not available]	0	3.98	5	0
Cystinosis A metabolic disease characterized by the defective transport of CYSTINE across the lysosomal membrane due to mutation of a membrane protein cystinosin. This results in cystine accumulation and crystallization in the cells causing widespread tissue damage. In the KIDNEY, nephropathic cystinosis is a common cause of RENAL FANCONI SYNDROME.	0	3.98	5	0
Rhabdomyosarcoma A malignant solid tumor arising from mesenchymal tissues which normally differentiate to form striated muscle. It can occur in a wide variety of sites. It is divided into four distinct types: pleomorphic, predominantly in male adults; alveolar (RHABDOMYOSARCOMA, ALVEOLAR), mainly in adolescents and young adults; embryonal (RHABDOMYOSARCOMA, EMBRYONAL), predominantly in infants and children; and botryoidal, also in young children. It is one of the most frequently occurring soft tissue sarcomas and the most common in children under 15. (From Dorland, 27th ed; Holland et al., Cancer Medicine, 3d ed, p2186; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, pp1647-9)	0	4.62	10	0
Autism [description not available]	0	5.98	10	1
Clostridioides difficile Infection [description not available]	0	2.05	1	0
Antibiotic-Associated Colitis [description not available]	0	2.66	3	0
Autistic Disorder A disorder beginning in childhood. It is marked by the presence of markedly abnormal or impaired development in social interaction and communication and a markedly restricted repertoire of activity and interest. Manifestations of the disorder vary greatly depending on the developmental level and chronological age of the individual. (DSM-V)	0	5.98	10	1
Clostridium Infections Infections with bacteria of the genus CLOSTRIDIUM and closely related CLOSTRIDIOIDES species.	0	2.05	1	0
Enterocolitis, Pseudomembranous An acute inflammation of the INTESTINAL MUCOSA that is characterized by the presence of pseudomembranes or plaques in the SMALL INTESTINE (pseudomembranous enteritis) and the LARGE INTESTINE (pseudomembranous colitis). It is commonly associated with antibiotic therapy and CLOSTRIDIUM DIFFICILE colonization.	0	2.66	3	0
Becker Muscular Dystrophy [description not available]	0	2.05	1	0
Muscular Dystrophy, Duchenne An X-linked recessive muscle disease caused by an inability to synthesize DYSTROPHIN, which is involved with maintaining the integrity of the sarcolemma. Muscle fibers undergo a process that features degeneration and regeneration. Clinical manifestations include proximal weakness in the first few years of life, pseudohypertrophy, cardiomyopathy (see MYOCARDIAL DISEASES), and an increased incidence of impaired mentation. Becker muscular dystrophy is a closely related condition featuring a later onset of disease (usually adolescence) and a slowly progressive course. (Adams et al., Principles of Neurology, 6th ed, p1415)	0	2.05	1	0
Acrocephaly Premature closing of the lambdoid and coronal sutures.	0	2.05	1	0
Acrocephalosyndactylia Congenital craniostenosis with syndactyly.	0	2.05	1	0
Craniofacial Dysarthrosis [description not available]	0	2.05	1	0
Craniosynostoses Premature closure of one or more CRANIAL SUTURES. It often results in plagiocephaly. Craniosynostoses that involve multiple sutures are sometimes associated with congenital syndromes such as ACROCEPHALOSYNDACTYLIA; and CRANIOFACIAL DYSOSTOSIS.	0	2.05	1	0
Infections, Chlamydia [description not available]	0	2.05	1	0
Chlamydia Infections Infections with bacteria of the genus CHLAMYDIA.	0	2.05	1	0
Infant Malnutrition Malnutrition, occurring in infants ages 1 month to 24 months, which is due to insufficient intake of food, dietary nutrients, or a pathophysiologic condition which prevents the absorption and utilization of food. Growth and development are markedly affected.	0	3.97	5	0
Eye Disorders [description not available]	0	4.62	6	0
Eye Diseases Diseases affecting the eye.	0	4.62	6	0
Abnormalities, Congenital [description not available]	0	6.96	34	0
Androgen Insensitivity Syndrome [description not available]	0	2.05	1	0
Hemarthrosis Bleeding into the joints. It may arise from trauma or spontaneously in patients with hemophilia.	0	2.05	1	0
Adult-Onset Dystonias [description not available]	0	4.33	4	1
Dystonic Disorders Acquired and inherited conditions that feature DYSTONIA as a primary manifestation of disease. These disorders are generally divided into generalized dystonias (e.g., dystonia musculorum deformans) and focal dystonias (e.g., writer's cramp). They are also classified by patterns of inheritance and by age of onset.	0	4.33	4	1
Protein Folding Diseases [description not available]	0	2.97	1	0
Coronary Heart Disease [description not available]	0	5.59	11	0
Coronary Disease An imbalance between myocardial functional requirements and the capacity of the CORONARY VESSELS to supply sufficient blood flow. It is a form of MYOCARDIAL ISCHEMIA (insufficient blood supply to the heart muscle) caused by a decreased capacity of the coronary vessels.	0	5.59	11	0
Chromosome-Defective Micronuclei [description not available]	0	2.06	1	0
Deficiency, Thiamine [description not available]	0	2.33	2	0
Thiamine Deficiency A nutritional condition produced by a deficiency of THIAMINE in the diet, characterized by anorexia, irritability, and weight loss. Later, patients experience weakness, peripheral neuropathy, headache, and tachycardia. In addition to being caused by a poor diet, thiamine deficiency in the United States most commonly occurs as a result of alcoholism, since ethanol interferes with thiamine absorption. In countries relying on polished rice as a dietary staple, BERIBERI prevalence is very high. (From Cecil Textbook of Medicine, 19th ed, p1171)	0	7.33	2	0
Catatonic Rigidity [description not available]	0	2.05	1	0
Muscle Rigidity Continuous involuntary sustained muscle contraction which is often a manifestation of BASAL GANGLIA DISEASES. When an affected muscle is passively stretched, the degree of resistance remains constant regardless of the rate at which the muscle is stretched. This feature helps to distinguish rigidity from MUSCLE SPASTICITY. (From Adams et al., Principles of Neurology, 6th ed, p73)	0	2.05	1	0
Lung Adenocarcinoma [description not available]	0	2.06	1	0
Adenocarcinoma of Lung A carcinoma originating in the lung and the most common lung cancer type in never-smokers. Malignant cells exhibit distinct features such as glandular epithelial, or tubular morphology. Mutations in KRAS, EGFR, BRAF, and ERBB2 genes are associated with this cancer.	0	2.06	1	0
MEA 2b [description not available]	0	2.44	2	0
Adrenal Cancer [description not available]	0	3.35	7	0
Pheochromocytoma, Extra-Adrenal [description not available]	0	3.07	5	0
Pheochromocytoma A usually benign, well-encapsulated, lobular, vascular tumor of chromaffin tissue of the ADRENAL MEDULLA or sympathetic paraganglia. The cardinal symptom, reflecting the increased secretion of EPINEPHRINE and NOREPINEPHRINE, is HYPERTENSION, which may be persistent or intermittent. During severe attacks, there may be HEADACHE; SWEATING, palpitation, apprehension, TREMOR; PALLOR or FLUSHING of the face, NAUSEA and VOMITING, pain in the CHEST and ABDOMEN, and paresthesias of the extremities. The incidence of malignancy is as low as 5% but the pathologic distinction between benign and malignant pheochromocytomas is not clear. (Dorland, 27th ed; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1298)	0	3.07	5	0
Adenocystic Carcinoma [description not available]	0	4.74	2	1
Lassitude [description not available]	0	7.99	12	3
Mouth Diseases Diseases involving the MOUTH.	0	4.37	1	1
Asialia [description not available]	0	4.68	2	1
Carcinoma, Adenoid Cystic Carcinoma characterized by bands or cylinders of hyalinized or mucinous stroma separating or surrounded by nests or cords of small epithelial cells. When the cylinders occur within masses of epithelial cells, they give the tissue a perforated, sievelike, or cribriform appearance. Such tumors occur in the mammary glands, the mucous glands of the upper and lower respiratory tract, and the salivary glands. They are malignant but slow-growing, and tend to spread locally via the nerves. (Dorland, 27th ed)	0	4.74	2	1
Fatigue The state of weariness following a period of exertion, mental or physical, characterized by a decreased capacity for work and reduced efficiency to respond to stimuli.	0	7.99	12	3
Osteoradionecrosis Necrosis of bone following radiation injury.	0	4.37	1	1
Xerostomia Decreased salivary flow.	0	4.68	2	1
Mucositis An INFLAMMATION of the MUCOSA with burning or tingling sensation. It is characterized by atrophy of the squamous EPITHELIUM, vascular damage, inflammatory infiltration, and ulceration. It usually occurs at the mucous lining of the MOUTH, the GASTROINTESTINAL TRACT or the airway due to chemical irritations, CHEMOTHERAPY, or radiation therapy (RADIOTHERAPY).	0	4.78	2	1
Charcot-Marie-Tooth Disease, Demyelinating, Type 4f [description not available]	0	2.92	4	0
Child Behavior Disorders Disturbances considered to be pathological based on age and stage appropriateness, e.g., conduct disturbances and anaclitic depression. This concept does not include psychoneuroses, psychoses, or personality disorders with fixed patterns.	0	3.92	13	0
Chromosomal Translocation [description not available]	0	3.61	9	0
Infections, RNA Virus [description not available]	0	2.05	1	0
Fatty Liver, Nonalcoholic [description not available]	0	2.06	1	0
Liver Steatosis [description not available]	0	3.22	6	0
Fatty Liver Lipid infiltration of the hepatic parenchymal cells resulting in a yellow-colored liver. The abnormal lipid accumulation is usually in the form of TRIGLYCERIDES, either as a single large droplet or multiple small droplets. Fatty liver is caused by an imbalance in the metabolism of FATTY ACIDS.	0	3.22	6	0
Non-alcoholic Fatty Liver Disease Fatty liver finding without excessive ALCOHOL CONSUMPTION.	0	2.06	1	0
Ophthalmoplegia, Progressive Supranuclear [description not available]	0	2.06	1	0
Supranuclear Palsy, Progressive A degenerative disease of the central nervous system characterized by balance difficulties; OCULAR MOTILITY DISORDERS (supranuclear ophthalmoplegia); DYSARTHRIA; swallowing difficulties; and axial DYSTONIA. Onset is usually in the fifth decade and disease progression occurs over several years. Pathologic findings include neurofibrillary degeneration and neuronal loss in the dorsal MESENCEPHALON; SUBTHALAMIC NUCLEUS; RED NUCLEUS; pallidum; dentate nucleus; and vestibular nuclei. (From Adams et al., Principles of Neurology, 6th ed, pp1076-7)	0	2.06	1	0
Exanthem [description not available]	0	2.06	1	0
Exanthema Diseases in which skin eruptions or rashes are a prominent manifestation. Classically, six such diseases were described with similar rashes; they were numbered in the order in which they were reported. Only the fourth (Duke's disease), fifth (ERYTHEMA INFECTIOSUM), and sixth (EXANTHEMA SUBITUM) numeric designations survive as occasional synonyms in current terminology.	0	2.06	1	0
Presbycusis Gradual bilateral hearing loss associated with aging that is due to progressive degeneration of cochlear structures and central auditory pathways. Hearing loss usually begins with the high frequencies then progresses to sounds of middle and low frequencies.	0	2.07	1	0
Arrhythmia [description not available]	0	3.11	5	0
Arrhythmias, Cardiac Any disturbances of the normal rhythmic beating of the heart or MYOCARDIAL CONTRACTION. Cardiac arrhythmias can be classified by the abnormalities in HEART RATE, disorders of electrical impulse generation, or impulse conduction.	0	3.11	5	0
Allergic Encephalomyelitis [description not available]	0	4.38	8	0
Anemia, Macrocytic Anemia characterized by larger than normal erythrocytes, increased mean corpuscular volume (MCV) and increased mean corpuscular hemoglobin (MCH).	0	3.29	2	0
Smoking Cessation Discontinuing the habit of SMOKING.	0	3.84	2	1
Experimental Radiation Injuries [description not available]	0	3.06	5	0
Convulsions, Febrile [description not available]	0	2.06	1	0
Convulsive Generalized Seizure Disorder [description not available]	0	2.47	2	0
Seizures, Febrile Seizures that occur during a febrile episode. It is a common condition, affecting 2-5% of children aged 3 months to five years. An autosomal dominant pattern of inheritance has been identified in some families. The majority are simple febrile seizures (generally defined as generalized onset, single seizures with a duration of less than 30 minutes). Complex febrile seizures are characterized by focal onset, duration greater than 30 minutes, and/or more than one seizure in a 24 hour period. The likelihood of developing epilepsy (i.e., a nonfebrile seizure disorder) following simple febrile seizures is low. Complex febrile seizures are associated with a moderately increased incidence of epilepsy. (From Menkes, Textbook of Child Neurology, 5th ed, p784)	0	2.06	1	0
Skin Aging The process of aging due to changes in the structure and elasticity of the skin over time. It may be a part of physiological aging or it may be due to the effects of ultraviolet radiation, usually through exposure to sunlight.	0	2.07	1	0
Aprosodia [description not available]	0	2.88	4	0
Incontinentia Pigmenti Achromians [description not available]	0	4.58	10	0
Active Hyperemia [description not available]	0	5.2	4	1
Hyperemia The presence of an increased amount of blood in a body part or an organ leading to congestion or engorgement of blood vessels. Hyperemia can be due to increase of blood flow into the area (active or arterial), or due to obstruction of outflow of blood from the area (passive or venous).	0	5.2	4	1
Deep Vein Thrombosis [description not available]	0	2.73	3	0
Mesenteric Vascular Occlusion Obstruction of the flow in the SPLANCHNIC CIRCULATION by ATHEROSCLEROSIS; EMBOLISM; THROMBOSIS; STENOSIS; TRAUMA; and compression or intrinsic pressure from adjacent tumors. Rare causes are drugs, intestinal parasites, and vascular immunoinflammatory diseases such as PERIARTERITIS NODOSA and THROMBOANGIITIS OBLITERANS. (From Juergens et al., Peripheral Vascular Diseases, 5th ed, pp295-6)	0	2.68	3	0
Venous Thrombosis The formation or presence of a blood clot (THROMBUS) within a vein.	0	7.73	3	0
Hypertrichosis Excessive hair growth at inappropriate locations, such as on the extremities, the head, and the back. It is caused by genetic or acquired factors, and is an androgen-independent process. This concept does not include HIRSUTISM which is an androgen-dependent excess hair growth in WOMEN and CHILDREN.	0	2.06	1	0
Blast Phase [description not available]	0	2.71	3	0
Blast Crisis An advanced phase of chronic myelogenous leukemia, characterized by a rapid increase in the proportion of immature white blood cells (blasts) in the blood and bone marrow to greater than 30%.	0	2.71	3	0
Foot Rot A disease of the horny parts and of the adjacent soft structures of the feet of cattle, swine, and sheep. It is usually caused by Corynebacterium pyogenes or Bacteroides nodosus (see DICHELOBACTER NODOSUS). It is also known as interdigital necrobacillosis. (From Black's Veterinary Dictionary, 18th ed)	0	2.06	1	0
Child Malnutrition Malnutrition occurring in children ages 2 to 12 years, which is due to insufficient intake of food, dietary nutrients, or a pathophysiologic condition which prevents the absorption and utilization of food. Growth and development are markedly affected.	0	2.41	2	0
Complications, Parasitic Pregnancy [description not available]	0	2.07	1	0
Female Genital Diseases [description not available]	0	2.07	1	0
Infections, Trichomonas [description not available]	0	2.07	1	0
Genital Diseases, Female Pathological processes involving the female reproductive tract (GENITALIA, FEMALE).	0	2.07	1	0
Trichomonas Infections Infections in birds and mammals produced by various species of Trichomonas.	0	2.07	1	0
Cytomegalic Inclusion Disease [description not available]	0	2.07	1	0
Cytomegalovirus Infections Infection with CYTOMEGALOVIRUS, characterized by enlarged cells bearing intranuclear inclusions. Infection may be in almost any organ, but the salivary glands are the most common site in children, as are the lungs in adults.	0	2.07	1	0
Hepatic Failure [description not available]	0	3.65	3	0
Liver Failure Severe inability of the LIVER to perform its normal metabolic functions, as evidenced by severe JAUNDICE and abnormal serum levels of AMMONIA; BILIRUBIN; ALKALINE PHOSPHATASE; ASPARTATE AMINOTRANSFERASE; LACTATE DEHYDROGENASES; and albumin/globulin ratio. (Blakiston's Gould Medical Dictionary, 4th ed)	0	8.65	3	0
C gattii Infection [description not available]	0	2.07	1	0
Cryptococcosis Fungal infection caused by genus CRYPTOCOCCUS.	0	2.07	1	0
Congenital Myasthenia [description not available]	0	2.07	1	0
Myasthenic Syndromes, Congenital A heterogeneous group of disorders characterized by a congenital defect in neuromuscular transmission at the NEUROMUSCULAR JUNCTION. This includes presynaptic, synaptic, and postsynaptic disorders (that are not of autoimmune origin). The majority of these diseases are caused by mutations of various subunits of the nicotinic acetylcholine receptor (RECEPTORS, NICOTINIC) on the postsynaptic surface of the junction. (From Arch Neurol 1999 Feb;56(2):163-7)	0	2.07	1	0
Age-Related Macular Degeneration [description not available]	0	2.07	1	0
Macular Degeneration Degenerative changes in the RETINA usually of older adults which results in a loss of vision in the center of the visual field (the MACULA LUTEA) because of damage to the retina. It occurs in dry and wet forms.	0	2.07	1	0
Chronic Hepatitis [description not available]	0	9.83	11	9
Hepatitis, Chronic INFLAMMATION of the LIVER with ongoing hepatocellular injury for 6 months or more, characterized by NECROSIS of HEPATOCYTES and inflammatory cell (LEUKOCYTES) infiltration. Chronic hepatitis can be caused by viruses, medications, autoimmune diseases, and other unknown factors.	0	9.83	11	9
Infant, Small for Gestational Age An infant having a birth weight lower than expected for its gestational age.	0	3.84	4	0
Abdominal Cryptorchidism [description not available]	0	2.07	1	0
E coli Infections [description not available]	0	3.58	9	0
Escherichia coli Infections Infections with bacteria of the species ESCHERICHIA COLI.	0	3.58	9	0
Deficiency, Vitamin B 12 [description not available]	0	2.67	3	0
Vitamin B 12 Deficiency A nutritional condition produced by a deficiency of VITAMIN B 12 in the diet, characterized by megaloblastic anemia. Since vitamin B 12 is not present in plants, humans have obtained their supply from animal products, from multivitamin supplements in the form of pills, and as additives to food preparations. A wide variety of neuropsychiatric abnormalities is also seen in vitamin B 12 deficiency and appears to be due to an undefined defect involving myelin synthesis. (From Cecil Textbook of Medicine, 19th ed, p848)	0	2.67	3	0
Chronic Hepatitis C [description not available]	0	2.73	3	0
Hepatitis C, Chronic INFLAMMATION of the LIVER in humans that is caused by HEPATITIS C VIRUS lasting six months or more. Chronic hepatitis C can lead to LIVER CIRRHOSIS.	0	2.73	3	0
Drug Withdrawal Symptoms [description not available]	0	6.26	20	2
Substance Withdrawal Syndrome Physiological and psychological symptoms associated with withdrawal from the use of a drug after prolonged administration or habituation. The concept includes withdrawal from smoking or drinking, as well as withdrawal from an administered drug.	0	6.26	20	2
Follicular Thyroid Carcinoma [description not available]	0	2.07	1	0
Adenocarcinoma, Follicular An adenocarcinoma of the thyroid gland, in which the cells are arranged in the form of follicles. (From Dorland, 27th ed)	0	2.07	1	0
Leishmania Infection [description not available]	0	2.99	1	0
Leishmaniasis A disease caused by any of a number of species of protozoa in the genus LEISHMANIA. There are four major clinical types of this infection: cutaneous (Old and New World) (LEISHMANIASIS, CUTANEOUS), diffuse cutaneous (LEISHMANIASIS, DIFFUSE CUTANEOUS), mucocutaneous (LEISHMANIASIS, MUCOCUTANEOUS), and visceral (LEISHMANIASIS, VISCERAL).	0	2.99	1	0
Conjunctival Diseases Diseases involving the CONJUNCTIVA.	0	2.07	1	0
Dental Leakage The seepage of fluids, debris, and micro-organisms between the walls of a prepared dental cavity and the restoration.	0	2.07	1	0
Central Retinal Edema, Cystoid [description not available]	0	3.46	1	1
Macular Edema Fluid accumulation in the outer layer of the MACULA LUTEA that results from intraocular or systemic insults. It may develop in a diffuse pattern where the macula appears thickened or it may acquire the characteristic petaloid appearance referred to as cystoid macular edema. Although macular edema may be associated with various underlying conditions, it is most commonly seen following intraocular surgery, venous occlusive disease, DIABETIC RETINOPATHY, and posterior segment inflammatory disease. (From Survey of Ophthalmology 2004; 49(5) 470-90)	0	3.46	1	1
Bunostomiasis [description not available]	0	2.07	1	0
Hookworm Infections Infection of humans or animals with hookworms other than those caused by the genus Ancylostoma or Necator, for which the specific terms ANCYLOSTOMIASIS and NECATORIASIS are available.	0	2.07	1	0
Deficiency, Glucosephosphatase [description not available]	0	2.07	1	0
Glycogen Storage Disease Type I An autosomal recessive disease in which gene expression of glucose-6-phosphatase is absent, resulting in hypoglycemia due to lack of glucose production. Accumulation of glycogen in liver and kidney leads to organomegaly, particularly massive hepatomegaly. Increased concentrations of lactic acid and hyperlipidemia appear in the plasma. Clinical gout often appears in early childhood.	0	2.07	1	0
Abnormalities, Multiple Congenital abnormalities that affect more than one organ or body structure.	0	5.69	14	0
Orphan Diseases Rare diseases that have not been well studied.	0	2.07	1	0
Granulocytic Leukemia [description not available]	0	3.97	14	0
Leukemia, Myeloid Form of leukemia characterized by an uncontrolled proliferation of the myeloid lineage and their precursors (MYELOID PROGENITOR CELLS) in the bone marrow and other sites.	0	3.97	14	0
Central Hypothyroidism [description not available]	0	3.57	9	0
Hypothyroidism A syndrome that results from abnormally low secretion of THYROID HORMONES from the THYROID GLAND, leading to a decrease in BASAL METABOLIC RATE. In its most severe form, there is accumulation of MUCOPOLYSACCHARIDES in the SKIN and EDEMA, known as MYXEDEMA. It may be primary or secondary due to other pituitary disease, or hypothalamic dysfunction.	0	3.57	9	0
Cleft Spine [description not available]	0	2.67	3	0
Nasal Bleeding [description not available]	0	2.08	1	0
Deficiency, Factor 11 [description not available]	0	2.45	2	0
Epistaxis Bleeding from the nose.	0	2.08	1	0
Bacterial Eye Infections [description not available]	0	2.08	1	0
Aggression Behavior which may be manifested by destructive and attacking action which is verbal or physical, by covert attitudes of hostility or by obstructionism.	0	4.25	19	0
Vascular Diseases Pathological processes involving any of the BLOOD VESSELS in the cardiac or peripheral circulation. They include diseases of ARTERIES; VEINS; and rest of the vasculature system in the body.	0	2.46	2	0
Dementias, Transmissible [description not available]	0	2.42	2	0
Adenomatous Polyposis Coli, Familial [description not available]	0	2.08	1	0
Adenomatous Polyposis Coli A polyposis syndrome due to an autosomal dominant mutation of the APC genes (GENES, APC) on CHROMOSOME 5. The syndrome is characterized by the development of hundreds of ADENOMATOUS POLYPS in the COLON and RECTUM of affected individuals by early adulthood.	0	2.08	1	0
Deafness, Transitory [description not available]	0	2.08	1	0
Glycogenosis [description not available]	0	2.08	1	0
Polysyndactyly [description not available]	0	2.08	1	0
Glycogen Storage Disease A group of inherited metabolic disorders involving the enzymes responsible for the synthesis and degradation of glycogen. In some patients, prominent liver involvement is presented. In others, more generalized storage of glycogen occurs, sometimes with prominent cardiac involvement.	0	2.08	1	0
Hearing Loss A general term for the complete or partial loss of the ability to hear from one or both ears.	0	2.08	1	0
Cane-Cutter Fever [description not available]	0	2.1	1	0
Leptospirosis Infections with bacteria of the genus LEPTOSPIRA.	0	2.1	1	0
Glucose Metabolic Disorder [description not available]	0	4.39	1	1
Experimental Leukemia [description not available]	0	4.09	16	0
Brain Abscess A circumscribed collection of purulent exudate in the brain, due to bacterial and other infections. The majority are caused by spread of infected material from a focus of suppuration elsewhere in the body, notably the PARANASAL SINUSES, middle ear (see EAR, MIDDLE); HEART (see also ENDOCARDITIS, BACTERIAL), and LUNG. Penetrating CRANIOCEREBRAL TRAUMA and NEUROSURGICAL PROCEDURES may also be associated with this condition. Clinical manifestations include HEADACHE; SEIZURES; focal neurologic deficits; and alterations of consciousness. (Adams et al., Principles of Neurology, 6th ed, pp712-6)	0	2.01	1	0
Arteriosclerosis Thickening and loss of elasticity of the walls of ARTERIES of all sizes. There are many forms classified by the types of lesions and arteries involved, such as ATHEROSCLEROSIS with fatty lesions in the ARTERIAL INTIMA of medium and large muscular arteries.	0	5.04	16	0
Bilateral Headache [description not available]	0	6.69	8	3
Headache The symptom of PAIN in the cranial region. It may be an isolated benign occurrence or manifestation of a wide variety of HEADACHE DISORDERS.	0	6.69	8	3
Marasmus [description not available]	0	8.56	15	4
Protein-Energy Malnutrition The lack of sufficient energy or protein to meet the body's metabolic demands, as a result of either an inadequate dietary intake of protein, intake of poor quality dietary protein, increased demands due to disease, or increased nutrient losses.	0	8.56	15	4
Allergy, Egg [description not available]	0	2.01	1	0
Abnormalities, Congenital, Nervous System [description not available]	0	2.66	3	0
Anemias, Iron-Deficiency [description not available]	0	2.92	1	0
Benign Intracranial Hypertension [description not available]	0	2.92	1	0
Pseudotumor Cerebri A condition marked by raised intracranial pressure and characterized clinically by HEADACHES; NAUSEA; PAPILLEDEMA, peripheral constriction of the visual fields, transient visual obscurations, and pulsatile TINNITUS. OBESITY is frequently associated with this condition, which primarily affects women between 20 and 44 years of age. Chronic PAPILLEDEMA may lead to optic nerve injury (see OPTIC NERVE DISEASES) and visual loss (see BLINDNESS).	0	2.92	1	0
Anemia, Iron-Deficiency Anemia characterized by decreased or absent iron stores, low serum iron concentration, low transferrin saturation, and low hemoglobin concentration or hematocrit value. The erythrocytes are hypochromic and microcytic and the iron binding capacity is increased.	0	2.92	1	0
Glaucoma An ocular disease, occurring in many forms, having as its primary characteristics an unstable or a sustained increase in the intraocular pressure which the eye cannot withstand without damage to its structure or impairment of its function. The consequences of the increased pressure may be manifested in a variety of symptoms, depending upon type and severity, such as excavation of the optic disk, hardness of the eyeball, corneal anesthesia, reduced visual acuity, seeing of colored halos around lights, disturbed dark adaptation, visual field defects, and headaches. (Dictionary of Visual Science, 4th ed)	0	2.01	1	0
Cardiac Hypertrophy Enlargement of the HEART due to chamber HYPERTROPHY, an increase in wall thickness without an increase in the number of cells (MYOCYTES, CARDIAC). It is the result of increase in myocyte size, mitochondrial and myofibrillar mass, as well as changes in extracellular matrix.	0	4.87	35	0
Cardiomegaly Enlargement of the HEART, usually indicated by a cardiothoracic ratio above 0.50. Heart enlargement may involve the right, the left, or both HEART VENTRICLES or HEART ATRIA. Cardiomegaly is a nonspecific symptom seen in patients with chronic systolic heart failure (HEART FAILURE) or several forms of CARDIOMYOPATHIES.	0	4.87	35	0
Femoral Fractures Fractures of the femur.	0	2.01	1	0
Dwarfism, Growth Hormone Deficiency [description not available]	0	3.39	1	1
Dwarfism, Pituitary A form of dwarfism caused by complete or partial GROWTH HORMONE deficiency, resulting from either the lack of GROWTH HORMONE-RELEASING FACTOR from the HYPOTHALAMUS or from the mutations in the growth hormone gene (GH1) in the PITUITARY GLAND. It is also known as Type I pituitary dwarfism. Human hypophysial dwarf is caused by a deficiency of HUMAN GROWTH HORMONE during development.	0	3.39	1	1
MODS [description not available]	0	3.79	2	1
Multiple Organ Failure A progressive condition usually characterized by combined failure of several organs such as the lungs, liver, kidney, along with some clotting mechanisms, usually postinjury or postoperative.	0	3.79	2	1
Cerebral Arteriosclerosis [description not available]	0	2.01	1	0
Intracranial Arteriosclerosis Vascular diseases characterized by thickening and hardening of the walls of ARTERIES inside the SKULL. There are three subtypes: (1) atherosclerosis with fatty deposits in the ARTERIAL INTIMA; (2) Monckeberg's sclerosis with calcium deposits in the media and (3) arteriolosclerosis involving the small caliber arteries. Clinical signs include HEADACHE; CONFUSION; transient blindness (AMAUROSIS FUGAX); speech impairment; and HEMIPARESIS.	0	2.01	1	0
Alcoholic Pancreatitis [description not available]	0	2.01	1	0
Muscle Relaxation That phase of a muscle twitch during which a muscle returns to a resting position.	0	2.4	2	0
Inflammatory Response Syndrome, Systemic [description not available]	0	2.01	1	0
Pancreatic Diseases Pathological processes of the PANCREAS.	0	3.46	8	0
Systemic Inflammatory Response Syndrome A systemic inflammatory response to a variety of clinical insults, characterized by two or more of the following conditions: (1) fever	0	2.01	1	0
Hypertrophy, Right Ventricular Enlargement of the RIGHT VENTRICLE of the heart. This increase in ventricular mass is often attributed to PULMONARY HYPERTENSION and is a contributor to cardiovascular morbidity and mortality.	0	2.01	1	0
Bile Duct Obstruction, Intrahepatic [description not available]	0	2.01	1	0
Cholestasis, Intrahepatic Impairment of bile flow due to injury to the HEPATOCYTES; BILE CANALICULI; or the intrahepatic bile ducts (BILE DUCTS, INTRAHEPATIC).	0	2.01	1	0
Infection, Wound [description not available]	0	2.01	1	0
Asperger Disease [description not available]	0	2.01	1	0
Asperger Syndrome A disorder beginning in childhood whose essential features are persistent impairment in reciprocal social communication and social interaction, and restricted, repetitive patterns of behavior, interests, or activities. These symptoms may limit or impair everyday functioning. (From DSM-5)	0	2.01	1	0
Amyotrophy, Thenar, Of Carpal Origin [description not available]	0	2.42	2	0
Carpal Tunnel Syndrome Entrapment of the MEDIAN NERVE in the carpal tunnel, which is formed by the flexor retinaculum and the CARPAL BONES. This syndrome may be associated with repetitive occupational trauma (CUMULATIVE TRAUMA DISORDERS); wrist injuries; AMYLOID NEUROPATHIES; rheumatoid arthritis (see ARTHRITIS, RHEUMATOID); ACROMEGALY; PREGNANCY; and other conditions. Symptoms include burning pain and paresthesias involving the ventral surface of the hand and fingers which may radiate proximally. Impairment of sensation in the distribution of the median nerve and thenar muscle atrophy may occur. (Joynt, Clinical Neurology, 1995, Ch51, p45)	0	2.42	2	0
Hepatitis INFLAMMATION of the LIVER.	0	10.36	14	0
Arterial Diseases, Cerebral [description not available]	0	2.01	1	0
Cerebral Arterial Diseases Pathological conditions of intracranial ARTERIES supplying the CEREBRUM. These diseases often are due to abnormalities or pathological processes in the ANTERIOR CEREBRAL ARTERY; MIDDLE CEREBRAL ARTERY; and POSTERIOR CEREBRAL ARTERY.	0	2.01	1	0
Islet Cell Tumor, Malignant [description not available]	0	3.32	2	0
Carcinoma, Islet Cell A primary malignant neoplasm of the pancreatic ISLET CELLS. Usually it involves the non-INSULIN-producing cell types, the PANCREATIC ALPHA CELLS and the pancreatic delta cells (SOMATOSTATIN-SECRETING CELLS) in GLUCAGONOMA and SOMATOSTATINOMA, respectively.	0	3.32	2	0
Amyloidosis, Hereditary [description not available]	0	2.72	3	0
Amyloidosis, Familial Diseases in which there is a familial pattern of AMYLOIDOSIS.	0	2.72	3	0
Acute Autoimmune Neuropathy [description not available]	0	2.93	1	0
Libman-Sacks Disease [description not available]	0	4.38	8	0
Lupus Erythematosus, Systemic A chronic, relapsing, inflammatory, and often febrile multisystemic disorder of connective tissue, characterized principally by involvement of the skin, joints, kidneys, and serosal membranes. It is of unknown etiology, but is thought to represent a failure of the regulatory mechanisms of the autoimmune system. The disease is marked by a wide range of system dysfunctions, an elevated erythrocyte sedimentation rate, and the formation of LE cells in the blood or bone marrow.	0	4.38	8	0
Guillain-Barre Syndrome An acute inflammatory autoimmune neuritis caused by T cell- mediated cellular immune response directed towards peripheral myelin. Demyelination occurs in peripheral nerves and nerve roots. The process is often preceded by a viral or bacterial infection, surgery, immunization, lymphoma, or exposure to toxins. Common clinical manifestations include progressive weakness, loss of sensation, and loss of deep tendon reflexes. Weakness of respiratory muscles and autonomic dysfunction may occur. (From Adams et al., Principles of Neurology, 6th ed, pp1312-1314)	0	2.93	1	0
Deficiency, Pyridoxine [description not available]	0	3.73	11	0
Poisoning, Mercury [description not available]	0	1.93	1	0
Mercury Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of MERCURY or MERCURY COMPOUNDS.	0	1.93	1	0
EHS Tumor [description not available]	0	4.43	23	0
Ascites Accumulation or retention of free fluid within the peritoneal cavity.	0	6.95	16	2
Diffuse Mixed Small and Large Cell Lymphoma [description not available]	0	4.99	16	0
Lymphoma, Non-Hodgkin Any of a group of malignant tumors of lymphoid tissue that differ from HODGKIN DISEASE, being more heterogeneous with respect to malignant cell lineage, clinical course, prognosis, and therapy. The only common feature among these tumors is the absence of giant REED-STERNBERG CELLS, a characteristic of Hodgkin's disease.	0	4.99	16	0
Disgerminoma [description not available]	0	3.03	5	0
Cancer, Embryonal [description not available]	0	2.84	4	0
Cancer of Testis [description not available]	0	3.18	6	0
Dysgerminoma A malignant ovarian neoplasm, thought to be derived from primordial germ cells of the sexually undifferentiated embryonic gonad. It is the counterpart of the classical seminoma of the testis, to which it is both grossly and histologically identical. Dysgerminomas comprise 16% of all germ cell tumors but are rare before the age of 10, although nearly 50% occur before the age of 20. They are generally considered of low-grade malignancy but may spread if the tumor extends through its capsule and involves lymph nodes or blood vessels. (Dorland, 27th ed; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1646)	0	3.03	5	0
Neoplasms, Germ Cell and Embryonal Neoplasms composed of primordial GERM CELLS of embryonic GONADS or of elements of the germ layers of the EMBRYO, MAMMALIAN. The concept does not refer to neoplasms located in the gonads or present in an embryo or FETUS.	0	2.84	4	0
Testicular Neoplasms Tumors or cancer of the TESTIS. Germ cell tumors (GERMINOMA) of the testis constitute 95% of all testicular neoplasms.	0	3.18	6	0
Seminoma A radiosensitive, malignant neoplasm of the testis, thought to be derived from primordial germ cells of the sexually undifferentiated embryonic gonad. There are three variants: classical (typical), the most common type; anaplastic; and spermatocytic. The classical seminoma is composed of fairly well differentiated sheets or cords of uniform polygonal or round cells (seminoma cells), each cell having abundant clear cytoplasm, distinct cell membranes, a centrally placed round nucleus, and one or more nucleoli. In the female, a grossly and histologically identical neoplasm, known as dysgerminoma, occurs. (Dorland, 27th ed)	0	2.84	4	0
Sarcoma 180 An experimental sarcoma of mice.	0	4.08	16	0
Reticulum Cell-Like Sarcoma, Yoshida [description not available]	0	2.86	4	0
Deficiency, Ascorbic Acid [description not available]	0	2.63	3	0
Hypoascorbemia [description not available]	0	2.85	4	0
Ascorbic Acid Deficiency A condition due to a dietary deficiency of ascorbic acid (vitamin C), characterized by malaise, lethargy, and weakness. As the disease progresses, joints, muscles, and subcutaneous tissues may become the sites of hemorrhage. Ascorbic acid deficiency frequently develops into SCURVY in young children fed unsupplemented cow's milk exclusively during their first year. It develops also commonly in chronic alcoholism. (Cecil Textbook of Medicine, 19th ed, p1177)	0	2.63	3	0
Scurvy An acquired blood vessel disorder caused by severe deficiency of vitamin C (ASCORBIC ACID) in the diet leading to defective collagen formation in small blood vessels. Scurvy is characterized by bleeding in any tissue, weakness, ANEMIA, spongy gums, and a brawny induration of the muscles of the calves and legs.	0	7.85	4	0
Muscular Dystrophy [description not available]	0	3.04	5	0
Muscular Dystrophies A heterogeneous group of inherited MYOPATHIES, characterized by wasting and weakness of the SKELETAL MUSCLE. They are categorized by the sites of MUSCLE WEAKNESS; AGE OF ONSET; and INHERITANCE PATTERNS.	0	3.04	5	0
Collagen Diseases Historically, a heterogeneous group of acute and chronic diseases, including rheumatoid arthritis, systemic lupus erythematosus, progressive systemic sclerosis, dermatomyositis, etc. This classification was based on the notion that collagen was equivalent to connective tissue, but with the present recognition of the different types of collagen and the aggregates derived from them as distinct entities, the term collagen diseases now pertains exclusively to those inherited conditions in which the primary defect is at the gene level and affects collagen biosynthesis, post-translational modification, or extracellular processing directly. (From Cecil Textbook of Medicine, 19th ed, p1494)	0	2.85	4	0
Granuloma, Hodgkin [description not available]	0	3.19	6	0
Hodgkin Disease A malignant disease characterized by progressive enlargement of the lymph nodes, spleen, and general lymphoid tissue. In the classical variant, giant usually multinucleate Hodgkin's and REED-STERNBERG CELLS are present; in the nodular lymphocyte predominant variant, lymphocytic and histiocytic cells are seen.	0	3.19	6	0
Nephrosis Pathological processes of the KIDNEY without inflammatory or neoplastic components. Nephrosis may be a primary disorder or secondary complication of other diseases. It is characterized by the NEPHROTIC SYNDROME indicating the presence of PROTEINURIA and HYPOALBUMINEMIA with accompanying EDEMA.	0	3.04	5	0
Plasma Cell Tumor [description not available]	0	4.03	15	0
Plasmacytoma Any discrete, presumably solitary, mass of neoplastic PLASMA CELLS either in BONE MARROW or various extramedullary sites.	0	4.03	15	0
Enteric Fever [description not available]	0	2.34	2	0
Typhoid Fever An acute systemic febrile infection caused by SALMONELLA TYPHI, a serotype of SALMONELLA ENTERICA.	0	2.34	2	0
Chromosome Inversion An aberration in which a chromosomal segment is deleted and reinserted in the same place but turned 180 degrees from its original orientation, so that the gene sequence for the segment is reversed with respect to that of the rest of the chromosome.	0	1.93	1	0
Diseases in Twins Disorders affecting TWINS, one or both, at any age.	0	4.48	9	0
Bilharziasis [description not available]	0	2.34	2	0
Schistosomiasis Infection with flukes (trematodes) of the genus SCHISTOSOMA. Three species produce the most frequent clinical diseases: SCHISTOSOMA HAEMATOBIUM (endemic in Africa and the Middle East), SCHISTOSOMA MANSONI (in Egypt, northern and southern Africa, some West Indies islands, northern 2/3 of South America), and SCHISTOSOMA JAPONICUM (in Japan, China, the Philippines, Celebes, Thailand, Laos). S. mansoni is often seen in Puerto Ricans living in the United States.	0	2.34	2	0
Ornithosis [description not available]	0	1.93	1	0
Psittacosis Infection with CHLAMYDOPHILA PSITTACI (formerly Chlamydia psittaci), transmitted to humans by inhalation of dust-borne contaminated nasal secretions or excreta of infected BIRDS. This infection results in a febrile illness characterized by PNEUMONITIS and systemic manifestations.	0	6.93	1	0
Elevated Cholesterol [description not available]	0	2.34	2	0
Potassium Deficiency A condition due to decreased dietary intake of potassium, as in starvation or failure to administer in intravenous solutions, or to gastrointestinal loss in diarrhea, chronic laxative abuse, vomiting, gastric suction, or bowel diversion. Severe potassium deficiency may produce muscular weakness and lead to paralysis and respiratory failure. Muscular malfunction may result in hypoventilation, paralytic ileus, hypotension, muscle twitches, tetany, and rhabomyolysis. Nephropathy from potassium deficit impairs the concentrating mechanism, producing POLYURIA and decreased maximal urinary concentrating ability with secondary POLYDIPSIA. (Merck Manual, 16th ed)	0	1.93	1	0
Hypercholesterolemia A condition with abnormally high levels of CHOLESTEROL in the blood. It is defined as a cholesterol value exceeding the 95th percentile for the population.	0	2.34	2	0
Anemia A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN.	0	3.65	10	0
Kwashiorkor A syndrome produced by severe protein deficiency, characterized by retarded growth, changes in skin and hair pigment, edema, and pathologic changes in the liver, including fatty infiltration, necrosis, and fibrosis. The word is a local name in Gold Coast, Africa, meaning displaced child. Although first reported from Africa, kwashiorkor is now known throughout the world, but mainly in the tropics and subtropics. It is considered to be related to marasmus. (From Dorland, 27th ed)	0	4.56	10	0
Sarcoma 37 An experimental sarcoma of mice.	0	1.93	1	0
Acute Rheumatic Fever [description not available]	0	3.19	6	0
Bone Marrow Diseases Diseases involving the BONE MARROW.	0	3.04	5	0
Deficiency, Riboflavin [description not available]	0	2.85	4	0
Deficiency, Vitamin B [description not available]	0	1.93	1	0
Vitamin B Deficiency A condition due to deficiency in any member of the VITAMIN B COMPLEX. These B vitamins are water-soluble and must be obtained from the diet because they are easily lost in the urine. Unlike the lipid-soluble vitamins, they cannot be stored in the body fat.	0	1.93	1	0
Aminoaciduria, Renal [description not available]	0	5.41	15	0
Carcinoma, Ehrlich Tumor A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms.	0	5.68	83	0
Animal Mammary Carcinoma [description not available]	0	3.24	6	0
Cancer of Intestines [description not available]	0	3.05	5	0
Intestinal Neoplasms Tumors or cancer of the INTESTINES.	0	3.05	5	0
Thoracic Neoplasms New abnormal growth of tissue in the THORAX.	0	1.93	1	0
Pigmentary Retinopathy [description not available]	0	4.42	5	1
Retinitis Pigmentosa Hereditary, progressive degeneration of the retina due to death of ROD PHOTORECEPTORS initially and subsequent death of CONE PHOTORECEPTORS. It is characterized by deposition of pigment in the retina.	0	4.42	5	1
Cryptogenic Infantile Spasms [description not available]	0	2.36	2	0
Spasms, Infantile An epileptic syndrome characterized by the triad of infantile spasms, hypsarrhythmia, and arrest of psychomotor development at seizure onset. The majority present between 3-12 months of age, with spasms consisting of combinations of brief flexor or extensor movements of the head, trunk, and limbs. The condition is divided into two forms: cryptogenic (idiopathic) and symptomatic (secondary to a known disease process such as intrauterine infections; nervous system abnormalities; BRAIN DISEASES, METABOLIC, INBORN; prematurity; perinatal asphyxia; TUBEROUS SCLEROSIS; etc.). (From Menkes, Textbook of Child Neurology, 5th ed, pp744-8)	0	2.36	2	0
Polyarthritis [description not available]	0	3.8	4	0
Palmoplantaris Pustulosis [description not available]	0	2.86	4	0
Arthritis Acute or chronic inflammation of JOINTS.	0	3.8	4	0
Psoriasis A common genetically determined, chronic, inflammatory skin disease characterized by rounded erythematous, dry, scaling patches. The lesions have a predilection for nails, scalp, genitalia, extensor surfaces, and the lumbosacral region. Accelerated epidermopoiesis is considered to be the fundamental pathologic feature in psoriasis.	0	2.86	4	0
Silicosis A form of pneumoconiosis resulting from inhalation of dust containing crystalline form of SILICON DIOXIDE, usually in the form of quartz. Amorphous silica is relatively nontoxic.	0	1.94	1	0
Hyperplasia An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells.	0	3.84	12	0
Brain Damage, Chronic A condition characterized by long-standing brain dysfunction or damage, usually of three months duration or longer. Potential etiologies include BRAIN INFARCTION; certain NEURODEGENERATIVE DISORDERS; CRANIOCEREBRAL TRAUMA; ANOXIA, BRAIN; ENCEPHALITIS; certain NEUROTOXICITY SYNDROMES; metabolic disorders (see BRAIN DISEASES, METABOLIC); and other conditions.	0	4.94	15	0
Absence Seizure Disorder [description not available]	0	2.34	2	0
Epilepsy, Absence A seizure disorder usually occurring in childhood characterized by rhythmic electrical brain discharges of generalized onset. Clinical features include a sudden cessation of ongoing activity usually without loss of postural tone. Rhythmic blinking of the eyelids or lip smacking frequently accompanies the SEIZURES. The usual duration is 5-10 seconds, and multiple episodes may occur daily. Juvenile absence epilepsy is characterized by the juvenile onset of absence seizures and an increased incidence of myoclonus and tonic-clonic seizures. (Menkes, Textbook of Child Neurology, 5th ed, p736)	0	2.34	2	0
Idiopathic Tropical Malabsorption Syndrome [description not available]	0	2.35	2	0
Anesthesia A state characterized by loss of feeling or sensation. This depression of nerve function is usually the result of pharmacologic action and is induced to allow performance of surgery or other painful procedures.	0	8.21	6	0
Nutritional Disorders [description not available]	0	6.01	20	0
Nutrition Disorders Disorders caused by nutritional imbalance, either overnutrition or undernutrition.	0	6.01	20	0
Complications, Labor [description not available]	0	2.64	3	0
Fibroid [description not available]	0	2.34	2	0
Leiomyoma A benign tumor derived from smooth muscle tissue, also known as a fibroid tumor. They rarely occur outside of the UTERUS and the GASTROINTESTINAL TRACT but can occur in the SKIN and SUBCUTANEOUS TISSUE, probably arising from the smooth muscle of small blood vessels in these tissues.	0	2.34	2	0
Esophageal Varices [description not available]	0	2.35	2	0
Hematochezia The passage of bright red blood from the rectum. The blood may or may not be mixed with formed stool in the form of blood, blood clots, bloody stool or diarrhea.	0	2.65	3	0
Esophageal and Gastric Varices Dilated blood vessels in the ESOPHAGUS or GASTRIC FUNDUS that shunt blood from the portal circulation (PORTAL SYSTEM) to the systemic venous circulation. Often they are observed in individuals with portal hypertension (HYPERTENSION, PORTAL).	0	2.35	2	0
Gastrointestinal Hemorrhage Bleeding in any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM.	0	2.65	3	0
Carcinoma 256, Walker A transplantable carcinoma of the rat that originally appeared spontaneously in the mammary gland of a pregnant albino rat, and which now resembles a carcinoma in young transplants and a sarcoma in older transplants. (Stedman, 25th ed)	0	4.02	15	0
Chronic Pancreatitis [description not available]	0	1.94	1	0
Pancreatitis, Chronic INFLAMMATION of the PANCREAS that is characterized by recurring or persistent ABDOMINAL PAIN with or without STEATORRHEA or DIABETES MELLITUS. It is characterized by the irregular destruction of the pancreatic parenchyma which may be focal, segmental, or diffuse.	0	1.94	1	0
Leukemia L 1210 [description not available]	0	4.02	15	0
Rachitis [description not available]	0	3.73	11	0
Malignant Hypertension [description not available]	0	2.35	2	0
Blood Pressure, Low [description not available]	0	3.74	2	1
Hypotension, Postural [description not available]	0	1.94	1	0
Eye Manifestations Ocular disorders attendant upon non-ocular disease or injury.	0	2.34	2	0
Hypertension, Malignant A condition of markedly elevated BLOOD PRESSURE with DIASTOLIC PRESSURE usually greater than 120 mm Hg. Malignant hypertension is characterized by widespread vascular damage, PAPILLEDEMA, retinopathy, HYPERTENSIVE ENCEPHALOPATHY, and renal dysfunction.	0	2.35	2	0
Hypotension Abnormally low BLOOD PRESSURE that can result in inadequate blood flow to the brain and other vital organs. Common symptom is DIZZINESS but greater negative impacts on the body occur when there is prolonged depravation of oxygen and nutrients.	0	3.74	2	1
Hypotension, Orthostatic A significant drop in BLOOD PRESSURE after assuming a standing position. Orthostatic hypotension is a finding, and defined as a 20-mm Hg decrease in systolic pressure or a 10-mm Hg decrease in diastolic pressure 3 minutes after the person has risen from supine to standing. Symptoms generally include DIZZINESS, blurred vision, and SYNCOPE.	0	1.94	1	0
Abdominal Neoplasms New abnormal growth of tissue in the ABDOMEN.	0	4.03	3	1
Tuberculoma A tumor-like mass resulting from the enlargement of a tuberculous lesion.	0	1.94	1	0
Gastroduodenal Ulcer [description not available]	0	2.87	4	0
Peptic Ulcer Ulcer that occurs in the regions of the GASTROINTESTINAL TRACT which come into contact with GASTRIC JUICE containing PEPSIN and GASTRIC ACID. It occurs when there are defects in the MUCOSA barrier. The common forms of peptic ulcers are associated with HELICOBACTER PYLORI and the consumption of nonsteroidal anti-inflammatory drugs (NSAIDS).	0	2.87	4	0
Hyperthyroid [description not available]	0	4.45	5	1
Hyperthyroidism Hypersecretion of THYROID HORMONES from the THYROID GLAND. Elevated levels of thyroid hormones increase BASAL METABOLIC RATE.	0	4.45	5	1
Myxedema A condition characterized by a dry, waxy type of swelling (EDEMA) with abnormal deposits of MUCOPOLYSACCHARIDES in the SKIN and other tissues. It is caused by a deficiency of THYROID HORMONES. The skin becomes puffy around the eyes and on the cheeks. The face is dull and expressionless with thickened nose and lips.	0	1.94	1	0
Infections, Salmonella [description not available]	0	3.78	4	0
Osteomyelitis INFLAMMATION of the bone as a result of infection. It may be caused by a variety of infectious agents, especially pyogenic (PUS - producing) BACTERIA.	0	1.94	1	0
Herpes Simplex Keratitis [description not available]	0	1.94	1	0
Furrow Keratitis [description not available]	0	4.98	5	2
Keratitis Inflammation of the cornea.	0	2.35	2	0
Keratitis, Herpetic A superficial, epithelial Herpesvirus hominis infection of the cornea, characterized by the presence of small vesicles which may break down and coalesce to form dendritic ulcers (KERATITIS, DENDRITIC). (Dictionary of Visual Science, 3d ed)	0	1.94	1	0
Keratitis, Ulcerative [description not available]	0	1.94	1	0
Corneal Ulcer Loss of epithelial tissue from the surface of the cornea due to progressive erosion and necrosis of the tissue; usually caused by bacterial, fungal, or viral infection.	0	1.94	1	0
Adenovirus Infections [description not available]	0	1.94	1	0
Adenoviridae Infections Virus diseases caused by the ADENOVIRIDAE.	0	1.94	1	0
Actinic Reticuloid Syndrome [description not available]	0	2.63	3	0
Bone Diseases Diseases of BONES.	0	3.82	12	0
Cardiac Death [description not available]	0	2.34	2	0
Hypothermia, Accidental [description not available]	0	3.2	6	0
Hypothermia Lower than normal body temperature, especially in warm-blooded animals.	0	8.2	6	0
Encephalitis, Polio [description not available]	0	3.07	5	0
Poliomyelitis An acute infectious disease of humans, particularly children, caused by any of three serotypes of human poliovirus (POLIOVIRUS). Usually the infection is limited to the gastrointestinal tract and nasopharynx, and is often asymptomatic. The central nervous system, primarily the spinal cord, may be affected, leading to rapidly progressive paralysis, coarse FASCICULATION and hyporeflexia. Motor neurons are primarily affected. Encephalitis may also occur. The virus replicates in the nervous system, and may cause significant neuronal loss, most notably in the spinal cord. A rare related condition, nonpoliovirus poliomyelitis, may result from infections with nonpoliovirus enteroviruses. (From Adams et al., Principles of Neurology, 6th ed, pp764-5)	0	3.07	5	0
Angiomyxoma [description not available]	0	1.93	1	0
Hydrophobia [description not available]	0	1.93	1	0
Vaccinia The cutaneous and occasional systemic reactions associated with vaccination using smallpox (variola) vaccine.	0	1.93	1	0
Congenital Hypocupremia [description not available]	0	2.01	1	0
Menkes Kinky Hair Syndrome An inherited disorder of copper metabolism transmitted as an X-linked trait and characterized by the infantile onset of HYPOTHERMIA, feeding difficulties, hypotonia, SEIZURES, bony deformities, pili torti (twisted hair), and severely impaired intellectual development. Defective copper transport across plasma and endoplasmic reticulum membranes results in copper being unavailable for the synthesis of several copper containing enzymes, including PROTEIN-LYSINE 6-OXIDASE; CERULOPLASMIN; and SUPEROXIDE DISMUTASE. Pathologic changes include defects in arterial elastin, neuronal loss, and gliosis. (From Menkes, Textbook of Child Neurology, 5th ed, p125)	0	2.01	1	0
Fetal Death Death of the developing young in utero. BIRTH of a dead FETUS is STILLBIRTH.	0	3.66	10	0
Glioblastoma with Sarcomatous Component [description not available]	0	3.1	5	0
Gliosarcoma Rare mixed tumors of the brain and rarely the spinal cord which contain malignant neuroectodermal (glial) and mesenchymal components, including spindle-shaped fibrosarcoma cells. These tumors are highly aggressive and present primarily in adults as rapidly expanding mass lesions. They may arise in tissue that has been previously irradiated. (From Br J Neurosurg 1995 Apr;9(2):171-8)	0	3.1	5	0
Briquet Syndrome [description not available]	0	2.02	1	0
Somatoform Disorders Disorders having the presence of physical symptoms that suggest a general medical condition but that are not fully explained by another medical condition, by the direct effects of a substance, or by another mental disorder. The MEDICALLY UNEXPLAINED SYMPTOMS must cause clinically significant distress or impairment in social, occupational, or other areas of functioning. In contrast to FACTITIOUS DISORDERS and MALINGERING, the physical symptoms are not under voluntary control. (APA, DSM-V)	0	2.02	1	0
Hormone-Dependent Neoplasms [description not available]	0	2.02	1	0
Acid Aspiration Syndrome [description not available]	0	2.02	1	0
Pneumonia, Aspiration A type of lung inflammation resulting from the aspiration of food, liquid, or gastric contents into the upper RESPIRATORY TRACT.	0	2.02	1	0
Deficiency, Factor 10 [description not available]	0	2.42	2	0
Factor X Deficiency Blood coagulation disorder usually inherited as an autosomal recessive trait, though it can be acquired. It is characterized by defective activity in both the intrinsic and extrinsic pathways, impaired thromboplastin time, and impaired prothrombin consumption.	0	2.42	2	0
Abnormalities, Drug-Induced Congenital abnormalities caused by medicinal substances or drugs of abuse given to or taken by the mother, or to which she is inadvertently exposed during the manufacture of such substances. The concept excludes abnormalities resulting from exposure to non-medicinal chemicals in the environment.	0	3.21	6	0
Embryopathies [description not available]	0	9.3	31	2
Choreoathetosis Self-Mutilation Hyperuricemia Syndrome [description not available]	0	3.8	4	0
Lesch-Nyhan Syndrome An inherited disorder transmitted as a sex-linked trait and caused by a deficiency of an enzyme of purine metabolism; HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE. Affected individuals are normal in the first year of life and then develop psychomotor retardation, extrapyramidal movement disorders, progressive spasticity, and seizures. Self-destructive behaviors such as biting of fingers and lips are seen frequently. Intellectual impairment may also occur but is typically not severe. Elevation of uric acid in the serum leads to the development of renal calculi and gouty arthritis. (Menkes, Textbook of Child Neurology, 5th ed, pp127)	0	3.8	4	0
Injury, Myocardial Reperfusion [description not available]	0	3.26	6	0
Alveolar Bone Atrophy [description not available]	0	2.02	1	0
Addiction, Opioid [description not available]	0	3.82	2	1
Opioid-Related Disorders Disorders related to or resulting from abuse or misuse of OPIOIDS.	0	3.82	2	1
Calcification, Pathologic [description not available]	0	2.88	4	0
Calcinosis Pathologic deposition of calcium salts in tissues.	0	2.88	4	0
Brain Swelling [description not available]	0	2.4	2	0
Brain Edema Increased intracellular or extracellular fluid in brain tissue. Cytotoxic brain edema (swelling due to increased intracellular fluid) is indicative of a disturbance in cell metabolism, and is commonly associated with hypoxic or ischemic injuries (see HYPOXIA, BRAIN). An increase in extracellular fluid may be caused by increased brain capillary permeability (vasogenic edema), an osmotic gradient, local blockages in interstitial fluid pathways, or by obstruction of CSF flow (e.g., obstructive HYDROCEPHALUS). (From Childs Nerv Syst 1992 Sep; 8(6):301-6)	0	2.4	2	0
Fibrosis, Radiation [description not available]	0	2.02	1	0
Radiation Pneumonitis Inflammation of the lung due to harmful effects of ionizing or non-ionizing radiation.	0	2.02	1	0
Batten Turner Congenital Myopathy [description not available]	0	2.02	1	0
Hypomelanosis [description not available]	0	3.57	3	0
Albinism, Tyrosinase-Negative [description not available]	0	3.57	3	0
Albinism, Oculocutaneous Heterogeneous group of autosomal recessive disorders comprising at least four recognized types, all having in common varying degrees of hypopigmentation of the skin, hair, and eyes. The two most common are the tyrosinase-positive and tyrosinase-negative types.	0	3.57	3	0
Hypopigmentation A condition caused by a deficiency or a loss of melanin pigmentation in the epidermis, also known as hypomelanosis. Hypopigmentation can be localized or generalized, and may result from genetic defects, trauma, inflammation, or infections.	0	3.57	3	0
Granulomas [description not available]	0	2.02	1	0
Granuloma A relatively small nodular inflammatory lesion containing grouped mononuclear phagocytes, caused by infectious and noninfectious agents.	0	2.02	1	0
Chronic Primary Open Angle Glaucoma [description not available]	0	2.43	2	0
Glaucoma, Open-Angle Glaucoma in which the angle of the anterior chamber is open and the trabecular meshwork does not encroach on the base of the iris.	0	2.43	2	0
Bacterial Infections, Gram-Positive [description not available]	0	2.41	2	0
Gram-Positive Bacterial Infections Infections caused by bacteria that retain the crystal violet stain (positive) when treated by the gram-staining method.	0	2.41	2	0
Christmas Disease [description not available]	0	2.69	3	0
Hemophilia B A deficiency of blood coagulation factor IX inherited as an X-linked disorder. (Also known as Christmas Disease, after the first patient studied in detail, not the holy day.) Historical and clinical features resemble those in classic hemophilia (HEMOPHILIA A), but patients present with fewer symptoms. Severity of bleeding is usually similar in members of a single family. Many patients are asymptomatic until the hemostatic system is stressed by surgery or trauma. Treatment is similar to that for hemophilia A. (From Cecil Textbook of Medicine, 19th ed, p1008)	0	2.69	3	0
Disomy, Uniparental [description not available]	0	2.02	1	0
Crigler Najjar Syndrome [description not available]	0	2.4	2	0
Complications, Neoplastic Pregnancy [description not available]	0	2.02	1	0
Drug Overdose Accidental or deliberate use of a medication or street drug in excess of normal dosage.	0	2.02	1	0
Hutchinson Gilford Progeria Syndrome [description not available]	0	2.38	2	0
Progeria An abnormal congenital condition, associated with defects in the LAMIN TYPE A gene, which is characterized by premature aging in children, where all the changes of cell senescence occur. It is manifested by premature graying; hair loss; hearing loss (DEAFNESS); cataracts (CATARACT); ARTHRITIS; OSTEOPOROSIS; DIABETES MELLITUS; atrophy of subcutaneous fat; skeletal hypoplasia; elevated urinary HYALURONIC ACID; and accelerated ATHEROSCLEROSIS. Many affected individuals develop malignant tumors, especially SARCOMA.	0	2.38	2	0
Deficiency, Factor 7 [description not available]	0	2.43	2	0
Factor VII Deficiency An autosomal recessive characteristic or a coagulation disorder acquired in association with VITAMIN K DEFICIENCY. FACTOR VII is a Vitamin K dependent glycoprotein essential to the extrinsic pathway of coagulation.	0	2.43	2	0
Gambling, Pathologic [description not available]	0	4.37	2	2
Gambling An activity distinguished primarily by an element of risk in trying to obtain a desired goal, e.g., playing a game of chance for money.	0	4.37	2	2
ARSA Deficiency [description not available]	0	2.37	2	0
Leukodystrophy, Metachromatic An autosomal recessive metabolic disease caused by a deficiency of CEREBROSIDE-SULFATASE leading to intralysosomal accumulation of cerebroside sulfate (SULFOGLYCOSPHINGOLIPIDS) in the nervous system and other organs. Pathological features include diffuse demyelination, and metachromatically-staining granules in many cell types such as the GLIAL CELLS. There are several allelic and nonallelic forms with a variety of neurological symptoms.	0	2.37	2	0
Hypercoagulability [description not available]	0	3.33	2	0
Thrombophilia A disorder of HEMOSTASIS in which there is a tendency for the occurrence of THROMBOSIS.	0	3.33	2	0
Heart Disease, Ischemic [description not available]	0	3.63	3	0
Myocardial Ischemia A disorder of cardiac function caused by insufficient blood flow to the muscle tissue of the heart. The decreased blood flow may be due to narrowing of the coronary arteries (CORONARY ARTERY DISEASE), to obstruction by a thrombus (CORONARY THROMBOSIS), or less commonly, to diffuse narrowing of arterioles and other small vessels within the heart. Severe interruption of the blood supply to the myocardial tissue may result in necrosis of cardiac muscle (MYOCARDIAL INFARCTION).	0	3.63	3	0
Deficiency, Magnesium [description not available]	0	2.89	4	0
Magnesium Deficiency A nutritional condition produced by a deficiency of magnesium in the diet, characterized by anorexia, nausea, vomiting, lethargy, and weakness. Symptoms are paresthesias, muscle cramps, irritability, decreased attention span, and mental confusion, possibly requiring months to appear. Deficiency of body magnesium can exist even when serum values are normal. In addition, magnesium deficiency may be organ-selective, since certain tissues become deficient before others. (Harrison's Principles of Internal Medicine, 12th ed, p1936)	0	2.89	4	0
Nephrocalcinosis A condition characterized by calcification of the renal tissue itself. It is usually seen in distal RENAL TUBULAR ACIDOSIS with calcium deposition in the DISTAL KIDNEY TUBULES and the surrounding interstitium. Nephrocalcinosis causes RENAL INSUFFICIENCY.	0	2.02	1	0
Coronary Restenosis Recurrent narrowing or constriction of a coronary artery following surgical procedures performed to alleviate a prior obstruction.	0	2.02	1	0
Cardiac Output, Low A state of subnormal or depressed cardiac output at rest or during stress. It is a characteristic of CARDIOVASCULAR DISEASES, including congenital, valvular, rheumatic, hypertensive, coronary, and cardiomyopathic. The serious form of low cardiac output is characterized by marked reduction in STROKE VOLUME, and systemic vasoconstriction resulting in cold, pale, and sometimes cyanotic extremities.	0	2.02	1	0
Foreign Bodies Inanimate objects that become enclosed in the body.	0	2.02	1	0
Intestinal Perforation Opening or penetration through the wall of the INTESTINES.	0	2.02	1	0
Cerebral Palsy, Athetoid [description not available]	0	2.67	3	0
Cerebral Palsy A heterogeneous group of nonprogressive motor disorders caused by chronic brain injuries that originate in the prenatal period, perinatal period, or first few years of life. The four major subtypes are spastic, athetoid, ataxic, and mixed cerebral palsy, with spastic forms being the most common. The motor disorder may range from difficulties with fine motor control to severe spasticity (see MUSCLE SPASTICITY) in all limbs. Spastic diplegia (Little disease) is the most common subtype, and is characterized by spasticity that is more prominent in the legs than in the arms. Pathologically, this condition may be associated with LEUKOMALACIA, PERIVENTRICULAR. (From Dev Med Child Neurol 1998 Aug;40(8):520-7)	0	2.67	3	0
Embolus [description not available]	0	3.41	1	1
Embolism Blocking of a blood vessel by an embolus which can be a blood clot or other undissolved material in the blood stream.	0	3.41	1	1
Chronic Wasting Disease [description not available]	0	2.02	1	0
Ataxia with Lactic Acidosis [description not available]	0	3.3	2	0
Pyruvate Dehydrogenase Complex Deficiency Disease An inherited metabolic disorder caused by deficient enzyme activity in the PYRUVATE DEHYDROGENASE COMPLEX, resulting in deficiency of acetyl CoA and reduced synthesis of acetylcholine. Two clinical forms are recognized: neonatal and juvenile. The neonatal form is a relatively common cause of lactic acidosis in the first weeks of life and may also feature an erythematous rash. The juvenile form presents with lactic acidosis, alopecia, intermittent ATAXIA; SEIZURES; and an erythematous rash. (From J Inherit Metab Dis 1996;19(4):452-62) Autosomal recessive and X-linked forms are caused by mutations in the genes for the three different enzyme components of this multisubunit pyruvate dehydrogenase complex. One of the mutations at Xp22.2-p22.1 in the gene for the E1 alpha component of the complex leads to LEIGH DISEASE.	0	3.3	2	0
Jaundice, Cholestatic [description not available]	0	2.03	1	0
Jaundice, Obstructive Jaundice, the condition with yellowish staining of the skin and mucous membranes, that is due to impaired BILE flow in the BILIARY TRACT, such as INTRAHEPATIC CHOLESTASIS, or EXTRAHEPATIC CHOLESTASIS.	0	2.03	1	0
Lower Extremity Weakness, Spastic [description not available]	0	2.42	2	0
Tendinitis Inflammation of TENDONS. It is characterized by the degeneration of tendons accompanied by an inflammatory repair response, fibroblastic proliferation, and formation of granulation tissue. Tendinitis is not a clinical diagnosis and can be confirmed only by histopathological findings.	0	2.03	1	0
Abnormal Deep Tendon Reflex [description not available]	0	2.69	3	0
Reflex, Abnormal An abnormal response to a stimulus applied to the sensory components of the nervous system. This may take the form of increased, decreased, or absent reflexes.	0	2.69	3	0
Tendinopathy Clinical syndrome describing overuse tendon injuries characterized by a combination of PAIN, diffuse or localized swelling, and impaired performance.	0	2.03	1	0
Hyperhomocysteinemia Condition in which the plasma levels of homocysteine and related metabolites are elevated (	0	2.43	2	0
Erythermalgia [description not available]	0	2.72	3	0
Erythromelalgia A peripheral arterial disease that is characterized by the triad of ERYTHEMA, burning PAIN, and increased SKIN TEMPERATURE of the extremities (or red, painful extremities). Erythromelalgia may be classified as primary or idiopathic, familial or non-familial. Secondary erythromelalgia is associated with other diseases, the most common being MYELOPROLIFERATIVE DISORDERS.	0	2.72	3	0
Dyskinesia, Medication-Induced [description not available]	0	4.47	5	1
Dyskinesia, Drug-Induced Abnormal movements, including HYPERKINESIS; HYPOKINESIA; TREMOR; and DYSTONIA, associated with the use of certain medications or drugs. Muscles of the face, trunk, neck, and extremities are most commonly affected. Tardive dyskinesia refers to abnormal hyperkinetic movements of the muscles of the face, tongue, and neck associated with the use of neuroleptic agents (see ANTIPSYCHOTIC AGENTS). (Adams et al., Principles of Neurology, 6th ed, p1199)	0	4.47	5	1
Fukuhara Disease [description not available]	0	2.44	2	0
Myoclonic Jerk [description not available]	0	2.65	3	0
HPV Infection [description not available]	0	2.03	1	0
Papillomavirus Infections Neoplasms of the skin and mucous membranes caused by papillomaviruses. They are usually benign but some have a high risk for malignant progression.	0	2.03	1	0
Bronchial Hyperreactivity Tendency of the smooth muscle of the tracheobronchial tree to contract more intensely in response to a given stimulus than it does in the response seen in normal individuals. This condition is present in virtually all symptomatic patients with asthma. The most prominent manifestation of this smooth muscle contraction is a decrease in airway caliber that can be readily measured in the pulmonary function laboratory.	0	2.44	2	0
Erythrocytosis [description not available]	0	3.21	6	0
Deficiency, Factor II [description not available]	0	2.03	1	0
Preterm Birth [description not available]	0	2.03	1	0
Premature Birth CHILDBIRTH before 37 weeks of PREGNANCY (259 days from the first day of the mother's last menstrual period, or 245 days after FERTILIZATION).	0	2.03	1	0
Nicotine Addiction [description not available]	0	3.41	1	1
Tobacco Use Disorder Tobacco used to the detriment of a person's health or social functioning. Tobacco dependence is included.	0	3.41	1	1
Cell Transformation, Viral An inheritable change in cells manifested by changes in cell division and growth and alterations in cell surface properties. It is induced by infection with a transforming virus.	0	3.76	11	0
Glomerulonephritis, Lupus [description not available]	0	2.03	1	0
Lupus Nephritis Glomerulonephritis associated with autoimmune disease SYSTEMIC LUPUS ERYTHEMATOSUS. Lupus nephritis is histologically classified into 6 classes: class I - normal glomeruli, class II - pure mesangial alterations, class III - focal segmental glomerulonephritis, class IV - diffuse glomerulonephritis, class V - diffuse membranous glomerulonephritis, and class VI - advanced sclerosing glomerulonephritis (The World Health Organization classification 1982).	0	7.03	1	0
Proteinuria The presence of proteins in the urine, an indicator of KIDNEY DISEASES.	0	3.36	7	0
Carcinoma, Mucoepidermoid A tumor of both low- and high-grade malignancy. The low-grade grow slowly, appear in any age group, and are readily cured by excision. The high-grade behave aggressively, widely infiltrate the salivary gland and produce lymph node and distant metastases. Mucoepidermoid carcinomas account for about 21% of the malignant tumors of the parotid gland and 10% of the sublingual gland. They are the most common malignant tumor of the parotid. (From DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p575; Holland et al., Cancer Medicine, 3d ed, p1240)	0	2.03	1	0
Submandibular Gland Neoplasms New abnormal growth of tissue in the SUBMANDIBULAR GLAND.	0	2.03	1	0
Amyotonia Congenita [description not available]	0	3.07	5	0
Neuromuscular Diseases A general term encompassing lower MOTOR NEURON DISEASE; PERIPHERAL NERVOUS SYSTEM DISEASES; and certain MUSCULAR DISEASES. Manifestations include MUSCLE WEAKNESS; FASCICULATION; muscle ATROPHY; SPASM; MYOKYMIA; MUSCLE HYPERTONIA, myalgias, and MUSCLE HYPOTONIA.	0	3.07	5	0
Alkalosis A pathological condition that removes acid or adds base to the body fluids.	0	2.03	1	0
Ebola Hemorrhagic Fever [description not available]	0	2.03	1	0
Hemorrhagic Fever, Ebola A highly fatal, acute hemorrhagic fever caused by EBOLAVIRUS.	0	2.03	1	0
Disorders, Sex Chromosome [description not available]	0	2.03	1	0
Autosomal Chromosome Disorders [description not available]	0	3.97	5	0
Duncan Disease [description not available]	0	2.03	1	0
Lymphoproliferative Disorders Disorders characterized by proliferation of lymphoid tissue, general or unspecified.	0	2.03	1	0
Multiple Neurofibromas [description not available]	0	2.03	1	0
Benign Meningeal Neoplasms [description not available]	0	2.03	1	0
Meningeal Neoplasms Benign and malignant neoplastic processes that arise from or secondarily involve the meningeal coverings of the brain and spinal cord.	0	2.03	1	0
Neurofibromatoses A group of disorders characterized by an autosomal dominant pattern of inheritance with high rates of spontaneous mutation and multiple neurofibromas or neurilemmomas. NEUROFIBROMATOSIS 1 (generalized neurofibromatosis) accounts for approximately 95% of cases, although multiple additional subtypes (e.g., NEUROFIBROMATOSIS 2, neurofibromatosis 3, etc.) have been described. (From Neurochirurgie 1998 Nov;44(4):267-72)	0	2.03	1	0
Adult Onset Nemaline Myopathy [description not available]	0	2.03	1	0
Myopathies, Nemaline A group of inherited congenital myopathic conditions characterized clinically by weakness, hypotonia, and prominent hypoplasia of proximal muscles including the face. Muscle biopsy reveals large numbers of rod-shaped structures beneath the muscle fiber plasma membrane. This disorder is genetically heterogeneous and may occasionally present in adults. (Adams et al., Principles of Neurology, 6th ed, p1453)	0	2.03	1	0
Bullous Congenital Ichthyosiform Erythroderma [description not available]	0	2.03	1	0
Dumping Syndrome Gastrointestinal symptoms resulting from an absent or nonfunctioning pylorus.	0	3.29	2	0
Extrasystole, Ventricular [description not available]	0	2.03	1	0
Atrioventricular Nodal Re-Entrant Tachycardia [description not available]	0	2.03	1	0
Ventricular Fibrillation A potentially lethal cardiac arrhythmia that is characterized by uncoordinated extremely rapid firing of electrical impulses (400-600/min) in HEART VENTRICLES. Such asynchronous ventricular quivering or fibrillation prevents any effective cardiac output and results in unconsciousness (SYNCOPE). It is one of the major electrocardiographic patterns seen with CARDIAC ARREST.	0	2.03	1	0
Tachycardia, Ventricular An abnormally rapid ventricular rhythm usually in excess of 150 beats per minute. It is generated within the ventricle below the BUNDLE OF HIS, either as autonomic impulse formation or reentrant impulse conduction. Depending on the etiology, onset of ventricular tachycardia can be paroxysmal (sudden) or nonparoxysmal, its wide QRS complexes can be uniform or polymorphic, and the ventricular beating may be independent of the atrial beating (AV dissociation).	0	2.03	1	0
Retinal Diseases Diseases involving the RETINA.	0	2.89	4	0
Acute Lymphoid Leukemia [description not available]	0	4.76	7	1
Precursor Cell Lymphoblastic Leukemia-Lymphoma A neoplasm characterized by abnormalities of the lymphoid cell precursors leading to excessive lymphoblasts in the marrow and other organs. It is the most common cancer in children and accounts for the vast majority of all childhood leukemias.	0	4.76	7	1
Infections, Pneumococcal [description not available]	0	2.38	2	0
Pneumococcal Infections Infections with bacteria of the species STREPTOCOCCUS PNEUMONIAE.	0	2.38	2	0
Wallerian Degeneration Degeneration of distal aspects of a nerve axon following injury to the cell body or proximal portion of the axon. The process is characterized by fragmentation of the axon and its MYELIN SHEATH.	0	2.03	1	0
Cancer of Pituitary [description not available]	0	3.21	6	0
Adenoma, Prolactin-Secreting, Pituitary [description not available]	0	2.03	1	0
Pituitary Neoplasms Neoplasms which arise from or metastasize to the PITUITARY GLAND. The majority of pituitary neoplasms are adenomas, which are divided into non-secreting and secreting forms. Hormone producing forms are further classified by the type of hormone they secrete. Pituitary adenomas may also be characterized by their staining properties (see ADENOMA, BASOPHIL; ADENOMA, ACIDOPHIL; and ADENOMA, CHROMOPHOBE). Pituitary tumors may compress adjacent structures, including the HYPOTHALAMUS, several CRANIAL NERVES, and the OPTIC CHIASM. Chiasmal compression may result in bitemporal HEMIANOPSIA.	0	3.21	6	0
Ataxia of Gait [description not available]	0	2.03	1	0
Clinically Isolated CNS Demyelinating Syndrome [description not available]	0	4.76	12	0
Demyelinating Diseases Diseases characterized by loss or dysfunction of myelin in the central or peripheral nervous system.	0	4.76	12	0
B-Cell Chronic Lymphocytic Leukemia [description not available]	0	2.03	1	0
Leukemia, Lymphocytic, Chronic, B-Cell A chronic leukemia characterized by abnormal B-lymphocytes and often generalized lymphadenopathy. In patients presenting predominately with blood and bone marrow involvement it is called chronic lymphocytic leukemia (CLL); in those predominately with enlarged lymph nodes it is called small lymphocytic lymphoma. These terms represent spectrums of the same disease.	0	2.03	1	0
Bacteroides Infections Infections with bacteria of the genus BACTEROIDES.	0	2.4	2	0
Kaposi Sarcoma [description not available]	0	2.4	2	0
Sarcoma, Kaposi A multicentric, malignant neoplastic vascular proliferation characterized by the development of bluish-red cutaneous nodules, usually on the lower extremities, most often on the toes or feet, and slowly increasing in size and number and spreading to more proximal areas. The tumors have endothelium-lined channels and vascular spaces admixed with variably sized aggregates of spindle-shaped cells, and often remain confined to the skin and subcutaneous tissue, but widespread visceral involvement may occur. Kaposi's sarcoma occurs spontaneously in Jewish and Italian males in Europe and the United States. An aggressive variant in young children is endemic in some areas of Africa. A third form occurs in about 0.04% of kidney transplant patients. There is also a high incidence in AIDS patients. (From Dorland, 27th ed & Holland et al., Cancer Medicine, 3d ed, pp2105-7) HHV-8 is the suspected cause.	0	2.4	2	0
Audiogenic Epilepsy [description not available]	0	2.03	1	0
Epilepsy, Reflex A subtype of epilepsy characterized by seizures that are consistently provoked by a certain specific stimulus. Auditory, visual, and somatosensory stimuli as well as the acts of writing, reading, eating, and decision making are examples of events or activities that may induce seizure activity in affected individuals. (From Neurol Clin 1994 Feb;12(1):57-8)	0	2.03	1	0
Bonnevie-Ullrich Syndrome This syndrome that was originally observed by Ullrich, and designated as identical to TURNER SYNDROME, related the webbing of the neck, loose skin and other anomalies of the syndrome to accumulation of fluid in the embryo starting at the head and dispersing to the extremities (as observed by Bonnevie in mice). Commonly observed at birth in Turner Syndrome and NOONAN SYNDROME; EDEMA of the extremities usually recedes by one year and is an early sign of Turner syndrome, especially in female neonates.	0	4.68	2	1
Turner Syndrome A syndrome of defective gonadal development in phenotypic females associated with the karyotype 45,X (or 45,XO). Patients generally are of short stature with undifferentiated GONADS (streak gonads), SEXUAL INFANTILISM, HYPOGONADISM, webbing of the neck, cubitus valgus, elevated GONADOTROPINS, decreased ESTRADIOL level in blood, and CONGENITAL HEART DEFECTS. NOONAN SYNDROME (also called Pseudo-Turner Syndrome and Male Turner Syndrome) resembles this disorder; however, it occurs in males and females with a normal karyotype and is inherited as an autosomal dominant.	0	4.68	2	1
Adrenoleukodystrophy, Autosomal Neonatal Form [description not available]	0	2.03	1	0
Lipid Metabolism, Inborn Error [description not available]	0	3.97	5	0
Chondrodysplasia Punctata, Rhizomelic An autosomal recessive form of CHONDRODYSPLASIA PUNCTATA characterized by defective plasmalogen biosynthesis and impaired peroxisomes. Patients have shortened proximal limbs and severely disturbed endochondral bone formation. The metabolic defects associated with the impaired peroxisomes are present only in the rhizomelic form of chondrodysplasia punctata. (From Scriver et al, Metabolic Basis of Inherited Disease, 6th ed, p1497)	0	2.03	1	0
Peroxisomal Disorders A heterogeneous group of inherited metabolic disorders marked by absent or dysfunctional PEROXISOMES. Peroxisomal enzymatic abnormalities may be single or multiple. Biosynthetic peroxisomal pathways are compromised, including the ability to synthesize ether lipids and to oxidize long-chain fatty acid precursors. Diseases in this category include ZELLWEGER SYNDROME; INFANTILE REFSUM DISEASE; rhizomelic chondrodysplasia (CHONDRODYSPLASIA PUNCTATA, RHIZOMELIC); hyperpipecolic acidemia; neonatal adrenoleukodystrophy; and ADRENOLEUKODYSTROPHY (X-linked). Neurologic dysfunction is a prominent feature of most peroxisomal disorders.	0	2.03	1	0
Muscular Weakness [description not available]	0	2.04	1	0
Muscle Weakness A vague complaint of debility, fatigue, or exhaustion attributable to weakness of various muscles. The weakness can be characterized as subacute or chronic, often progressive, and is a manifestation of many muscle and neuromuscular diseases. (From Wyngaarden et al., Cecil Textbook of Medicine, 19th ed, p2251)	0	2.04	1	0
Cadaver A dead body, usually a human body.	0	2.03	1	0
Eczema, Atopic [description not available]	0	2.03	1	0
Dermatitis, Atopic A chronic inflammatory genetically determined disease of the skin marked by increased ability to form reagin (IgE), with increased susceptibility to allergic rhinitis and asthma, and hereditary disposition to a lowered threshold for pruritus. It is manifested by lichenification, excoriation, and crusting, mainly on the flexural surfaces of the elbow and knee. In infants it is known as infantile eczema.	0	2.03	1	0
Benign Infantile Myoclonic Epilepsy [description not available]	0	2.03	1	0
Epilepsies, Myoclonic A clinically diverse group of epilepsy syndromes characterized either by myoclonic seizures or by myoclonus in association with other seizure types. Myoclonic epilepsy syndromes are divided into three subtypes based on etiology: familial, cryptogenic, and symptomatic.	0	2.03	1	0
Colonic Diseases Pathological processes in the COLON region of the large intestine (INTESTINE, LARGE).	0	4.69	2	1
Anorectal Diseases [description not available]	0	4.34	1	1
Rectal Diseases Pathological developments in the RECTUM region of the large intestine (INTESTINE, LARGE).	0	4.34	1	1
Deficiency Disease, Ornithine Carbamoyltransferase [description not available]	0	2.03	1	0
Ornithine Carbamoyltransferase Deficiency Disease An inherited urea cycle disorder associated with deficiency of the enzyme ORNITHINE CARBAMOYLTRANSFERASE, transmitted as an X-linked trait and featuring elevations of amino acids and ammonia in the serum. Clinical features, which are more prominent in males, include seizures, behavioral alterations, episodic vomiting, lethargy, and coma. (Menkes, Textbook of Child Neurology, 5th ed, pp49-50)	0	2.03	1	0
Cancer of Nose [description not available]	0	2.04	1	0
Cardiomyopathies, Primary [description not available]	0	2.38	2	0
Cardiomyopathies A group of diseases in which the dominant feature is the involvement of the CARDIAC MUSCLE itself. Cardiomyopathies are classified according to their predominant pathophysiological features (DILATED CARDIOMYOPATHY; HYPERTROPHIC CARDIOMYOPATHY; RESTRICTIVE CARDIOMYOPATHY) or their etiological/pathological factors (CARDIOMYOPATHY, ALCOHOLIC; ENDOCARDIAL FIBROELASTOSIS).	0	2.38	2	0
Corneal Dystrophies [description not available]	0	2.03	1	0
Atresia, Biliary [description not available]	0	2.03	1	0
Biliary Atresia Progressive destruction or the absence of all or part of the extrahepatic BILE DUCTS, resulting in the complete obstruction of BILE flow. Usually, biliary atresia is found in infants and accounts for one third of the neonatal cholestatic JAUNDICE.	0	7.03	1	0
A-Thalassemia [description not available]	0	2.04	1	0
alpha-Thalassemia A disorder characterized by reduced synthesis of the alpha chains of hemoglobin. The severity of this condition can vary from mild anemia to death, depending on the number of genes deleted.	0	2.04	1	0
Absence of Corpus Callosum [description not available]	0	2.41	2	0
Anemia, Sideroblastic Anemia characterized by the presence of erythroblasts containing excessive deposits of iron in the marrow.	0	2.04	1	0
Congenital Nystagmus [description not available]	0	2.04	1	0
Injuries, Soft Tissue [description not available]	0	2.96	1	0
Botulism, Infantile [description not available]	0	2.37	2	0
Botulism A disease caused by potent protein NEUROTOXINS produced by CLOSTRIDIUM BOTULINUM which interfere with the presynaptic release of ACETYLCHOLINE at the NEUROMUSCULAR JUNCTION. Clinical features include abdominal pain, vomiting, acute PARALYSIS (including respiratory paralysis), blurred vision, and DIPLOPIA. Botulism may be classified into several subtypes (e.g., food-borne, infant, wound, and others). (From Adams et al., Principles of Neurology, 6th ed, p1208)	0	2.37	2	0
Proliferative Vitreoretinopathy [description not available]	0	2.04	1	0
Vitreoretinopathy, Proliferative Vitreoretinal membrane shrinkage or contraction secondary to the proliferation of primarily retinal pigment epithelial cells and glial cells, particularly fibrous astrocytes, followed by membrane formation. The formation of fibrillar collagen and cellular proliferation appear to be the basis for the contractile properties of the epiretinal and vitreous membranes.	0	2.04	1	0
Myosarcoma A general term for a malignant neoplasm derived from muscular tissue. (Stedman, 25th ed)	0	7.04	1	0
Carditis [description not available]	0	1.94	1	0
Myocarditis Inflammatory processes of the muscular walls of the heart (MYOCARDIUM) which result in injury to the cardiac muscle cells (MYOCYTES, CARDIAC). Manifestations range from subclinical to sudden death (DEATH, SUDDEN). Myocarditis in association with cardiac dysfunction is classified as inflammatory CARDIOMYOPATHY usually caused by INFECTION, autoimmune diseases, or responses to toxic substances. Myocarditis is also a common cause of DILATED CARDIOMYOPATHY and other cardiomyopathies.	0	1.94	1	0
Acute Q Fever [description not available]	0	1.94	1	0
Complications, Hematologic Pregnancy [description not available]	0	3.45	8	0
Deficiency, Folic Acid [description not available]	0	2.86	4	0
Folic Acid Deficiency A nutritional condition produced by a deficiency of FOLIC ACID in the diet. Many plant and animal tissues contain folic acid, abundant in green leafy vegetables, yeast, liver, and mushrooms but destroyed by long-term cooking. Alcohol interferes with its intermediate metabolism and absorption. Folic acid deficiency may develop in long-term anticonvulsant therapy or with use of oral contraceptives. This deficiency causes anemia, macrocytic anemia, and megaloblastic anemia. It is indistinguishable from vitamin B 12 deficiency in peripheral blood and bone marrow findings, but the neurologic lesions seen in B 12 deficiency do not occur. (Merck Manual, 16th ed)	0	2.86	4	0
Concomitant Strabismus [description not available]	0	3.78	4	0
Congenital Dysplasia Of The Hip [description not available]	0	1.94	1	0
Strabismus Misalignment of the visual axes of the eyes. In comitant strabismus the degree of ocular misalignment does not vary with the direction of gaze. In noncomitant strabismus the degree of misalignment varies depending on direction of gaze or which eye is fixating on the target. (Miller, Walsh & Hoyt's Clinical Neuro-Ophthalmology, 4th ed, p641)	0	3.78	4	0
Poisoning, Lead [description not available]	0	3.96	5	0
Lead Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds.	0	3.96	5	0
Curling Ulcer Acute stress DUODENAL ULCER, usually observed in patients with extensive third-degree burns.	0	2.35	2	0
Polyps Discrete abnormal tissue masses that protrude into the lumen of the DIGESTIVE TRACT or the RESPIRATORY TRACT. Polyps can be spheroidal, hemispheroidal, or irregular mound-shaped structures attached to the MUCOUS MEMBRANE of the lumen wall either by a stalk, pedunculus, or by a broad base.	0	2.35	2	0
Gastric Diseases [description not available]	0	1.94	1	0
Duodenal Ulcer A PEPTIC ULCER located in the DUODENUM.	0	2.35	2	0
Acrodynia A condition seen primarily in childhood, most often resulting from chronic exposure to MERCURY COMPOUNDS which may result in encephalopathy and POLYNEUROPATHY. Clinical features include pain, swelling and pinkish discoloration of the fingers and toes, weakness in the extremities, extreme irritability, HYPERESTHESIA, and alterations in level of consciousness. (From Menkes, Textbook of Child Neurology, 5th ed, p603)	0	1.94	1	0
Nephritis Inflammation of any part of the KIDNEY.	0	1.94	1	0
Amino Acid Transport Disorder, Neutral [description not available]	0	6.17	15	0
Biliary Tract Diseases Diseases in any part of the BILIARY TRACT including the BILE DUCTS and the GALLBLADDER.	0	3.45	8	0
Anemia, Hemolytic, Hereditary [description not available]	0	3.04	5	0
Anemia, Hemolytic, Congenital Hemolytic anemia due to various intrinsic defects of the erythrocyte.	0	3.04	5	0
Encephalopathy, Hepatic [description not available]	0	8.67	40	3
Hepatic Encephalopathy A syndrome characterized by central nervous system dysfunction in association with LIVER FAILURE, including portal-systemic shunts. Clinical features include lethargy and CONFUSION (frequently progressing to COMA); ASTERIXIS; NYSTAGMUS, PATHOLOGIC; brisk oculovestibular reflexes; decorticate and decerebrate posturing; MUSCLE SPASTICITY; and bilateral extensor plantar reflexes (see REFLEX, BABINSKI). ELECTROENCEPHALOGRAPHY may demonstrate triphasic waves. (From Adams et al., Principles of Neurology, 6th ed, pp1117-20; Plum & Posner, Diagnosis of Stupor and Coma, 3rd ed, p222-5)	0	8.67	40	3
Pain, Intractable Persistent pain that is refractory to some or all forms of treatment.	0	2.65	3	0
Gastric Fistula Abnormal passage communicating with the STOMACH.	0	3.05	5	0
Pancreatic Fistula Abnormal passage communicating with the PANCREAS.	0	3.2	6	0
Leukoma [description not available]	0	2.36	2	0
Corneal Opacity Disorder occurring in the central or peripheral area of the cornea. The usual degree of transparency becomes relatively opaque.	0	2.36	2	0
Balkan Endemic Nephropathy [description not available]	0	1.96	1	0
Interstitial Nephritis [description not available]	0	2.36	2	0
Swine Diseases Diseases of domestic swine and of the wild boar of the genus Sus.	0	2.37	2	0
Nephritis, Interstitial Inflammation of the interstitial tissue of the kidney. This term is generally used for primary inflammation of KIDNEY TUBULES and/or surrounding interstitium. For primary inflammation of glomerular interstitium, see GLOMERULONEPHRITIS. Infiltration of the inflammatory cells into the interstitial compartment results in EDEMA, increased spaces between the tubules, and tubular renal dysfunction.	0	2.36	2	0
Adenomatoses, Bovine Pulmonary [description not available]	0	2.88	1	0
Autosomal Recessive Chronic Granulomatous Disease [description not available]	0	1.96	1	0
Granulomatous Disease, Chronic A defect of leukocyte function in which phagocytic cells ingest but fail to digest bacteria, resulting in recurring bacterial infections with granuloma formation. When chronic granulomatous disease is caused by mutations in the CYBB gene, the condition is inherited in an X-linked recessive pattern. When chronic granulomatous disease is caused by CYBA, NCF1, NCF2, or NCF4 gene mutations, the condition is inherited in an autosomal recessive pattern.	0	1.96	1	0
Morphine Abuse [description not available]	0	5.05	10	1
Morphine Dependence Strong dependence, both physiological and emotional, upon morphine.	0	5.05	10	1
Group A Strep Infection [description not available]	0	1.96	1	0
Streptococcal Infections Infections with bacteria of the genus STREPTOCOCCUS.	0	1.96	1	0
Sickle Cell Trait The condition of being heterozygous for hemoglobin S.	0	1.96	1	0
Greater Tuberosity Fractures [description not available]	0	1.96	1	0
Thromboembolism Obstruction of a blood vessel (embolism) by a blood clot (THROMBUS) in the blood stream.	0	2.38	2	0
Tonsillitis Inflammation of the tonsils, especially the PALATINE TONSILS but the ADENOIDS (pharyngeal tonsils) and lingual tonsils may also be involved. Tonsillitis usually is caused by bacterial infection. Tonsillitis may be acute, chronic, or recurrent.	0	2.35	2	0
Hyperactivity, Motor [description not available]	0	3.34	7	0
Pleurisy INFLAMMATION of PLEURA, the lining of the LUNG. When PARIETAL PLEURA is involved, there is pleuritic CHEST PAIN.	0	2.36	2	0
Hyperlipoproteinemia [description not available]	0	2.37	2	0
Hyperlipoproteinemias Conditions with abnormally elevated levels of LIPOPROTEINS in the blood. They may be inherited, acquired, primary, or secondary. Hyperlipoproteinemias are classified according to the pattern of lipoproteins on electrophoresis or ultracentrifugation.	0	2.37	2	0
Adult Fanconi Syndrome [description not available]	0	3.78	4	0
Distorted Hearing [description not available]	0	1.96	1	0
Female Genital Neoplasms [description not available]	0	2.87	4	0
Genital Neoplasms, Female Tumor or cancer of the female reproductive tract (GENITALIA, FEMALE).	0	2.87	4	0
Delusional Disorder Disorder with presentation of a facade of coldness with characteristic pervasive mistrust and suspiciousness of others.	0	2.66	3	0
Short Bowel Syndrome A malabsorption syndrome resulting from extensive operative resection of the SMALL INTESTINE, the absorptive region of the GASTROINTESTINAL TRACT.	0	1.96	1	0
Intestinal Obstruction Any impairment, arrest, or reversal of the normal flow of INTESTINAL CONTENTS toward the ANAL CANAL.	0	2.87	4	0
Mole, Skin [description not available]	0	1.96	1	0
Esophageal Reflux [description not available]	0	1.96	1	0
Gastroesophageal Reflux Retrograde flow of gastric juice (GASTRIC ACID) and/or duodenal contents (BILE ACIDS; PANCREATIC JUICE) into the distal ESOPHAGUS, commonly due to incompetence of the LOWER ESOPHAGEAL SPHINCTER.	0	1.96	1	0
Wounds, Gunshot Disruption of structural continuity of the body as a result of the discharge of firearms.	0	1.96	1	0
Neuroses [description not available]	0	3.29	2	0
Neurotic Disorders Disorders in which the symptoms are distressing to the individual and recognized by him or her as being unacceptable. Social relationships may be greatly affected but usually remain within acceptable limits. The disturbance is relatively enduring or recurrent without treatment.	0	3.29	2	0
Leukemia P388 An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene.	0	2.89	4	0
Bright Disease A historical classification which is no longer used. It described acute glomerulonephritis, acute nephritic syndrome, or acute nephritis. Named for Richard Bright.	0	2.86	4	0
Glomerulonephritis Inflammation of the renal glomeruli (KIDNEY GLOMERULUS) that can be classified by the type of glomerular injuries including antibody deposition, complement activation, cellular proliferation, and glomerulosclerosis. These structural and functional abnormalities usually lead to HEMATURIA; PROTEINURIA; HYPERTENSION; and RENAL INSUFFICIENCY.	0	2.86	4	0
Cushing's Syndrome [description not available]	0	2.36	2	0
Cushing Syndrome A condition caused by prolonged exposure to excess levels of cortisol (HYDROCORTISONE) or other GLUCOCORTICOIDS from endogenous or exogenous sources. It is characterized by upper body OBESITY; OSTEOPOROSIS; HYPERTENSION; DIABETES MELLITUS; HIRSUTISM; AMENORRHEA; and excess body fluid. Endogenous Cushing syndrome or spontaneous hypercortisolism is divided into two groups, those due to an excess of ADRENOCORTICOTROPIN and those that are ACTH-independent.	0	2.36	2	0
Plant Poisoning Poisoning by the ingestion of plants or its leaves, berries, roots or stalks. The manifestations in both humans and animals vary in severity from mild to life threatening. In animals, especially domestic animals, it is usually the result of ingesting moldy or fermented forage.	0	1.95	1	0
Affective Disorders, Psychotic Disorders in which the essential feature is a severe disturbance in mood (depression, anxiety, elation, and excitement) accompanied by psychotic symptoms such as delusions, hallucinations, gross impairment in reality testing, etc.	0	1.95	1	0
Necrotizing Pyelonephritis [description not available]	0	2.86	4	0
IgA Vasculitis A systemic non-thrombocytopenic purpura caused by HYPERSENSITIVITY VASCULITIS and deposition of IGA-containing IMMUNE COMPLEXES within the blood vessels throughout the body, including those in the kidney (KIDNEY GLOMERULUS). Clinical symptoms include URTICARIA; ERYTHEMA; ARTHRITIS; GASTROINTESTINAL HEMORRHAGE; and renal involvement. Most cases are seen in children after acute upper respiratory infections.	0	1.95	1	0
Pyelonephritis Inflammation of the KIDNEY involving the renal parenchyma (the NEPHRONS); KIDNEY PELVIS; and KIDNEY CALICES. It is characterized by ABDOMINAL PAIN; FEVER; NAUSEA; VOMITING; and occasionally DIARRHEA.	0	2.86	4	0
Focal Neurologic Deficits [description not available]	0	3.96	5	0
Avitaminosis A condition due to a deficiency of one or more essential vitamins. (Dorland, 27th ed)	0	3.3	2	0
Menopause The last menstrual period. Permanent cessation of menses (MENSTRUATION) is usually defined after 6 to 12 months of AMENORRHEA in a woman over 45 years of age. In the United States, menopause generally occurs in women between 48 and 55 years of age.	0	1.96	1	0
Abortion, Missed The retention in the UTERUS of a dead FETUS two months or more after its DEATH.	0	1.96	1	0
Glossoptosis, Micrognathia, and Cleft Palate [description not available]	0	1.95	1	0
Adult Premature Aging Syndrome [description not available]	0	2.38	2	0
Muscular Dystrophy, Animal MUSCULAR DYSTROPHY that occurs in VERTEBRATE animals.	0	3.45	8	0
Hibernation, Myocardial [description not available]	0	1.98	1	0
Toxemia A condition produced by the presence of toxins or other harmful substances in the BLOOD.	0	6.98	1	0
Endothelioma, Vascular [description not available]	0	1.98	1	0
Hemangioendothelioma A neoplasm derived from blood vessels, characterized by numerous prominent endothelial cells that occur singly, in aggregates, and as the lining of congeries of vascular tubes or channels. Hemangioendotheliomas are relatively rare and are of intermediate malignancy (between benign hemangiomas and conventional angiosarcomas). They affect men and women about equally and rarely develop in childhood. (From Stedman, 25th ed; Holland et al., Cancer Medicine, 3d ed, p1866)	0	1.98	1	0
Acquired Metabolic Diseases, Brain [description not available]	0	4.14	6	0
Urinary Calculi Low-density crystals or stones in any part of the URINARY TRACT. Their chemical compositions often include CALCIUM OXALATE, magnesium ammonium phosphate (struvite), CYSTINE, or URIC ACID.	0	1.98	1	0
Break-Bone Fever [description not available]	0	2.4	2	0
Dengue An acute febrile disease transmitted by the bite of AEDES mosquitoes infected with DENGUE VIRUS. It is self-limiting and characterized by fever, myalgia, headache, and rash. SEVERE DENGUE is a more virulent form of dengue.	0	2.4	2	0
alpha 1-Antitrypsin Deficiency Deficiency of the protease inhibitor ALPHA 1-ANTITRYPSIN that manifests primarily as PULMONARY EMPHYSEMA and LIVER CIRRHOSIS.	0	2.38	2	0
Aortic Stenosis [description not available]	0	2.36	2	0
Aortic Valve Stenosis A pathological constriction that can occur above (supravalvular stenosis), below (subvalvular stenosis), or at the AORTIC VALVE. It is characterized by restricted outflow from the LEFT VENTRICLE into the AORTA.	0	2.36	2	0
Eosinophilia-Myalgia Syndrome A complex systemic syndrome with inflammatory and autoimmune components that affect the skin, fascia, muscle, nerve, blood vessels, lung, and heart. Diagnostic features generally include EOSINOPHILIA, myalgia severe enough to limit usual activities of daily living, and the absence of coexisting infectious, autoimmune or other conditions that may induce eosinophilia. Biopsy of affected tissue reveals a microangiopathy associated with diffuse inflammation involving connective tissue. (From Spitzer et al., J Rheumatol Suppl 1996 Oct;46:73-9; Blackburn WD, Semin Arthritis Rheum 1997 Jun;26(6):788-93)	0	1.98	1	0
Myelopathy [description not available]	0	1.98	1	0
Spinal Cord Diseases Pathologic conditions which feature SPINAL CORD damage or dysfunction, including disorders involving the meninges and perimeningeal spaces surrounding the spinal cord. Traumatic injuries, vascular diseases, infections, and inflammatory/autoimmune processes may affect the spinal cord.	0	1.98	1	0
Hypogammaglobulinemia [description not available]	0	2.64	3	0
Abnormalities, Sex Chromosome [description not available]	0	2.37	2	0
Agammaglobulinemia An immunologic deficiency state characterized by an extremely low level of generally all classes of gamma-globulin in the blood.	0	2.64	3	0
Infantile Respiratory Distress Syndrome [description not available]	0	2.66	3	0
Respiratory Distress Syndrome, Newborn A condition of the newborn marked by DYSPNEA with CYANOSIS, heralded by such prodromal signs as dilatation of the alae nasi, expiratory grunt, and retraction of the suprasternal notch or costal margins, mostly frequently occurring in premature infants, children of diabetic mothers, and infants delivered by cesarean section, and sometimes with no apparent predisposing cause.	0	2.66	3	0
Cancer of Eye [description not available]	0	2.89	4	0
Cancer, Radiation-Induced [description not available]	0	3.79	4	0
Anochlesia [description not available]	0	1.98	1	0
Carcinoma, Colloid [description not available]	0	1.98	1	0
Adenocarcinoma, Mucinous An adenocarcinoma producing mucin in significant amounts. (From Dorland, 27th ed)	0	1.98	1	0
Chondrosarcoma A slowly growing malignant neoplasm derived from cartilage cells, occurring most frequently in pelvic bones or near the ends of long bones, in middle-aged and old people. Most chondrosarcomas arise de novo, but some may develop in a preexisting benign cartilaginous lesion or in patients with ENCHONDROMATOSIS. (Stedman, 25th ed)	0	1.98	1	0
Apolipoprotein B-100, Familial Defective [description not available]	0	2.38	2	0
Hyperlipoproteinemia Type II A group of familial disorders characterized by elevated circulating cholesterol contained in either LOW-DENSITY LIPOPROTEINS alone or also in VERY-LOW-DENSITY LIPOPROTEINS (pre-beta lipoproteins).	0	2.38	2	0
Fistula Abnormal communication most commonly seen between two internal organs, or between an internal organ and the surface of the body.	0	2.87	4	0
Ambiguous Genitalia [description not available]	0	1.98	1	0
Disorders of Sex Development In gonochoristic organisms, congenital conditions in which development of chromosomal, gonadal, or anatomical sex is atypical. Effects from exposure to abnormal levels of GONADAL HORMONES in the maternal environment, or disruption of the function of those hormones by ENDOCRINE DISRUPTORS are included.	0	1.98	1	0
Anoxia, Brain [description not available]	0	2.36	2	0
Alcoholic Intoxication An acute brain syndrome which results from the excessive ingestion of ETHANOL or ALCOHOLIC BEVERAGES.	0	2.69	3	0
Flaccid Quadriplegia [description not available]	0	1.98	1	0
Choriocarcinoma A malignant metastatic form of trophoblastic tumors. Unlike the HYDATIDIFORM MOLE, choriocarcinoma contains no CHORIONIC VILLI but rather sheets of undifferentiated cytotrophoblasts and syncytiotrophoblasts (TROPHOBLASTS). It is characterized by the large amounts of CHORIONIC GONADOTROPIN produced. Tissue origins can be determined by DNA analyses: placental (fetal) origin or non-placental origin (CHORIOCARCINOMA, NON-GESTATIONAL).	0	2.4	2	0
Nanism [description not available]	0	2.37	2	0
Dwarfism A genetic or pathological condition that is characterized by short stature and undersize. Abnormal skeletal growth usually results in an adult who is significantly below the average height.	0	2.37	2	0
Atherosclerotic Parkinsonism [description not available]	0	3.37	1	1
Parkinson Disease, Secondary Conditions which feature clinical manifestations resembling primary Parkinson disease that are caused by a known or suspected condition. Examples include parkinsonism caused by vascular injury, drugs, trauma, toxin exposure, neoplasms, infections and degenerative or hereditary conditions. Clinical features may include bradykinesia, rigidity, parkinsonian gait, and masked facies. In general, tremor is less prominent in secondary parkinsonism than in the primary form. (From Joynt, Clinical Neurology, 1998, Ch38, pp39-42)	0	3.37	1	1
Cardiac Septal Defect [description not available]	0	1.98	1	0
Anemia, Hypochromic Anemia characterized by a decrease in the ratio of the weight of hemoglobin to the volume of the erythrocyte, i.e., the mean corpuscular hemoglobin concentration is less than normal. The individual cells contain less hemoglobin than they could have under optimal conditions. Hypochromic anemia may be caused by iron deficiency from a low iron intake, diminished iron absorption, or excessive iron loss. It can also be caused by infections or other diseases, therapeutic drugs, lead poisoning, and other conditions. (Stedman, 25th ed; from Miale, Laboratory Medicine: Hematology, 6th ed, p393)	0	2.38	2	0
Absence of Brain, Congenital [description not available]	0	2.37	2	0
Carotid Arteriopathies, Traumatic [description not available]	0	2.4	2	0
Adiadochokinesis [description not available]	0	2.39	2	0
External Ophthalmoplegia [description not available]	0	2.39	2	0
Cerebellar Ataxia Incoordination of voluntary movements that occur as a manifestation of CEREBELLAR DISEASES. Characteristic features include a tendency for limb movements to overshoot or undershoot a target (dysmetria), a tremor that occurs during attempted movements (intention TREMOR), impaired force and rhythm of diadochokinesis (rapidly alternating movements), and GAIT ATAXIA. (From Adams et al., Principles of Neurology, 6th ed, p90)	0	2.39	2	0
Left Ventricular Hypertrophy [description not available]	0	4.48	5	1
Hypertrophy, Left Ventricular Enlargement of the LEFT VENTRICLE of the heart. This increase in ventricular mass is attributed to sustained abnormal pressure or volume loads and is a contributor to cardiovascular morbidity and mortality.	0	4.48	5	1
Asystole [description not available]	0	1.98	1	0
Heart Arrest Cessation of heart beat or MYOCARDIAL CONTRACTION. If it is treated within a few minutes, heart arrest can be reversed in most cases to normal cardiac rhythm and effective circulation.	0	1.98	1	0
Pemphigus Foliaceus [description not available]	0	1.99	1	0
Pemphigus Group of chronic blistering diseases characterized histologically by ACANTHOLYSIS and blister formation within the EPIDERMIS.	0	1.99	1	0
Autoimmune Demyelinating Disease, Peripheral [description not available]	0	2.4	2	0
Aldosteronism [description not available]	0	2.9	1	0
Hypomenorrhea [description not available]	0	2.9	1	0
Hyperaldosteronism A condition caused by the overproduction of ALDOSTERONE. It is characterized by sodium retention and potassium excretion with resultant HYPERTENSION and HYPOKALEMIA.	0	2.9	1	0
African Lymphoma [description not available]	0	2.4	2	0
Burkitt Lymphoma A form of undifferentiated malignant LYMPHOMA usually found in central Africa, but also reported in other parts of the world. It is commonly manifested as a large osteolytic lesion in the jaw or as an abdominal mass. B-cell antigens are expressed on the immature cells that make up the tumor in virtually all cases of Burkitt lymphoma. The Epstein-Barr virus (HERPESVIRUS 4, HUMAN) has been isolated from Burkitt lymphoma cases in Africa and it is implicated as the causative agent in these cases; however, most non-African cases are EBV-negative.	0	2.4	2	0
Mast-Cell Sarcoma A unifocal malignant tumor that consists of atypical pathological MAST CELLS without systemic involvement. It causes local destructive growth in organs other than in skin or bone marrow.	0	2.66	3	0
Abdominal Epilepsy [description not available]	0	2.67	3	0
Epilepsies, Partial Conditions characterized by recurrent paroxysmal neuronal discharges which arise from a focal region of the brain. Partial seizures are divided into simple and complex, depending on whether consciousness is unaltered (simple partial seizure) or disturbed (complex partial seizure). Both types may feature a wide variety of motor, sensory, and autonomic symptoms. Partial seizures may be classified by associated clinical features or anatomic location of the seizure focus. A secondary generalized seizure refers to a partial seizure that spreads to involve the brain diffusely. (From Adams et al., Principles of Neurology, 6th ed, pp317)	0	2.67	3	0
Endomyocardial Fibrosis A condition characterized by the thickening of the ventricular ENDOCARDIUM and subendocardium (MYOCARDIUM), seen mostly in children and young adults in the TROPICAL CLIMATE. The fibrous tissue extends from the apex toward and often involves the HEART VALVES causing restrictive blood flow into the respective ventricles (CARDIOMYOPATHY, RESTRICTIVE).	0	1.98	1	0
Demyelinative Myelitis [description not available]	0	1.98	1	0
Carcinoma, Thymic [description not available]	0	1.99	1	0
Thymoma A neoplasm originating from thymic tissue, usually benign, and frequently encapsulated. Although it is occasionally invasive, metastases are extremely rare. It consists of any type of thymic epithelial cell as well as lymphocytes that are usually abundant. Malignant lymphomas that involve the thymus, e.g., lymphosarcoma, Hodgkin's disease (previously termed granulomatous thymoma), should not be regarded as thymoma. (From Stedman, 25th ed)	0	1.99	1	0
Pleural Effusion, Malignant Presence of fluid in the PLEURAL CAVITY as a complication of malignant disease. Malignant pleural effusions often contain actual malignant cells.	0	4.99	3	1
Complex IV Deficiency [description not available]	0	1.99	1	0
Myoglobinuria The presence of MYOGLOBIN in URINE usually as a result of rhabdomyolysis.	0	1.99	1	0
Rhabdomyolysis Necrosis or disintegration of skeletal muscle often followed by myoglobinuria.	0	6.99	1	0
Di Guglielmo Disease [description not available]	0	1.99	1	0
Leukemia, Erythroblastic, Acute A myeloproliferative disorder characterized by neoplastic proliferation of erythroblastic and myeloblastic elements with atypical erythroblasts and myeloblasts in the peripheral blood.	0	1.99	1	0
Bernard-Soulier Syndrome A familial coagulation disorder characterized by a prolonged bleeding time, unusually large platelets, and impaired prothrombin consumption.	0	7.68	3	0
Decerebrate Posturing [description not available]	0	1.99	1	0
Afibrinogenemia, Congenital [description not available]	0	2.91	1	0
Histiocytosis, Non-Langerhans-Cell Group of disorders which feature accumulations of active HISTIOCYTES and LYMPHOCYTES, but where the histiocytes are not LANGERHANS CELLS. The group includes HEMOPHAGOCYTIC LYMPHOHISTIOCYTOSIS; SINUS HISTIOCYTOSIS; xanthogranuloma; reticulohistiocytoma; JUVENILE XANTHOGRANULOMA; xanthoma disseminatum; as well as the lipid storage diseases (SEA-BLUE HISTIOCYTE SYNDROME; and NIEMANN-PICK DISEASES).	0	2.91	1	0
Afibrinogenemia A deficiency or absence of FIBRINOGEN in the blood.	0	2.91	1	0
Adjustment Disorder [description not available]	0	4.6	3	2
Adjustment Disorders Maladaptive reactions to identifiable psychosocial stressors occurring within a short time after onset of the stressor. They are manifested by either impairment in social or occupational functioning or by symptoms (depression, anxiety, etc.) that are in excess of a normal and expected reaction to the stressor.	0	4.6	3	2
Congenital Adrenal Hyperplasia [description not available]	0	3.8	4	0
Adrenal Hyperplasia, Congenital A group of inherited disorders of the ADRENAL GLANDS, caused by enzyme defects in the synthesis of cortisol (HYDROCORTISONE) and/or ALDOSTERONE leading to accumulation of precursors for ANDROGENS. Depending on the hormone imbalance, congenital adrenal hyperplasia can be classified as salt-wasting, hypertensive, virilizing, or feminizing. Defects in STEROID 21-HYDROXYLASE; STEROID 11-BETA-HYDROXYLASE; STEROID 17-ALPHA-HYDROXYLASE; 3-beta-hydroxysteroid dehydrogenase (3-HYDROXYSTEROID DEHYDROGENASES); TESTOSTERONE 5-ALPHA-REDUCTASE; or steroidogenic acute regulatory protein; among others, underlie these disorders.	0	3.8	4	0
Thyroid Nodule A small circumscribed mass in the THYROID GLAND that can be of neoplastic growth or non-neoplastic abnormality. It lacks a well-defined capsule or glandular architecture. Thyroid nodules are often benign but can be malignant. The growth of nodules can lead to a multinodular goiter (GOITER, NODULAR).	0	1.99	1	0
Angioma A vascular anomaly due to proliferation of blood or lymphatic vessels that forms a tumor-like mass. Vessels in the angioma may or may not be dilated.	0	2.91	1	0
Hemangioma A vascular anomaly due to proliferation of BLOOD VESSELS that forms a tumor-like mass. The common types involve CAPILLARIES and VEINS. It can occur anywhere in the body but is most frequently noticed in the SKIN and SUBCUTANEOUS TISSUE. (from Stedman, 27th ed, 2000)	0	2.91	1	0
Coagulation, Disseminated Intravascular [description not available]	0	2.39	2	0
Disseminated Intravascular Coagulation A disorder characterized by procoagulant substances entering the general circulation causing a systemic thrombotic process. The activation of the clotting mechanism may arise from any of a number of disorders. A majority of the patients manifest skin lesions, sometimes leading to PURPURA FULMINANS.	0	2.39	2	0
Cystadenocarcinoma, Serous A malignant cystic or semicystic neoplasm. It often occurs in the ovary and usually bilaterally. The external surface is usually covered with papillary excrescences. Microscopically, the papillary patterns are predominantly epithelial overgrowths with differentiated and undifferentiated papillary serous cystadenocarcinoma cells. Psammoma bodies may be present. The tumor generally adheres to surrounding structures and produces ascites. (From Hughes, Obstetric-Gynecologic Terminology, 1972, p185)	0	1.99	1	0
Hemorrhagic Diathesis [description not available]	0	2.36	2	0
Hemorrhagic Disorders Spontaneous or near spontaneous bleeding caused by a defect in clotting mechanisms (BLOOD COAGULATION DISORDERS) or another abnormality causing a structural flaw in the blood vessels (HEMOSTATIC DISORDERS).	0	2.36	2	0
Cancer of Gastrointestinal Tract [description not available]	0	5	5	2
Corridor Disease [description not available]	0	1.99	1	0
Carcinoma, Intraepithelial [description not available]	0	1.99	1	0
Carcinoma in Situ A lesion with cytological characteristics associated with invasive carcinoma but the tumor cells are confined to the epithelium of origin, without invasion of the basement membrane.	0	1.99	1	0
Coarctation of Aorta [description not available]	0	1.99	1	0
Aortic Coarctation A birth defect characterized by the narrowing of the AORTA that can be of varying degree and at any point from the transverse arch to the iliac bifurcation. Aortic coarctation causes arterial HYPERTENSION before the point of narrowing and arterial HYPOTENSION beyond the narrowed portion.	0	1.99	1	0
Day Blindness [description not available]	0	1.99	1	0
Anti-Phospholipid Antibody Syndrome [description not available]	0	1.99	1	0
Antiphospholipid Syndrome The presence of antibodies directed against phospholipids (ANTIBODIES, ANTIPHOSPHOLIPID). The condition is associated with a variety of diseases, notably systemic lupus erythematosus and other connective tissue diseases, thrombopenia, and arterial or venous thromboses. In pregnancy it can cause abortion. Of the phospholipids, the cardiolipins show markedly elevated levels of anticardiolipin antibodies (ANTIBODIES, ANTICARDIOLIPIN). Present also are high levels of lupus anticoagulant (LUPUS COAGULATION INHIBITOR).	0	1.99	1	0
Myotonia Prolonged failure of muscle relaxation after contraction. This may occur after voluntary contractions, muscle percussion, or electrical stimulation of the muscle. Myotonia is a characteristic feature of MYOTONIC DISORDERS.	0	1.99	1	0
MELAS [description not available]	0	1.99	1	0
MELAS Syndrome A mitochondrial disorder characterized by focal or generalized seizures, episodes of transient or persistent neurologic dysfunction resembling strokes, and ragged-red fibers on muscle biopsy. Affected individuals tend to be normal at birth through early childhood, then experience growth failure, episodic vomiting, and recurrent cerebral insults resulting in visual loss and hemiparesis. The cortical lesions tend to occur in the parietal and occipital lobes and are not associated with vascular occlusion. VASCULAR HEADACHE is frequently associated and the disorder tends to be familial. (From Joynt, Clinical Neurology, 1992, Ch56, p117)	0	1.99	1	0
Hypophosphatasia A genetic metabolic disorder resulting from serum and bone alkaline phosphatase deficiency leading to hypercalcemia, ethanolamine phosphatemia, and ethanolamine phosphaturia. Clinical manifestations include severe skeletal defects resembling vitamin D-resistant rickets, failure of the calvarium to calcify, dyspnea, cyanosis, vomiting, constipation, renal calcinosis, failure to thrive, disorders of movement, beading of the costochondral junction, and rachitic bone changes. (From Dorland, 27th ed)	0	3.06	5	0
Dermatitis Seborrheica [description not available]	0	1.99	1	0
Dermatitis, Seborrheic A chronic inflammatory disease of the skin with unknown etiology. It is characterized by moderate ERYTHEMA, dry, moist, or greasy (SEBACEOUS GLAND) scaling and yellow crusted patches on various areas, especially the scalp, that exfoliate as dandruff. Seborrheic dermatitis is common in children and adolescents with HIV INFECTIONS.	0	1.99	1	0
Hereditary Optic Atrophy [description not available]	0	2	1	0
Palsy [description not available]	0	1.99	1	0
Paralysis A general term most often used to describe severe or complete loss of muscle strength due to motor system disease from the level of the cerebral cortex to the muscle fiber. This term may also occasionally refer to a loss of sensory function. (From Adams et al., Principles of Neurology, 6th ed, p45)	0	1.99	1	0
Foot Diseases Anatomical and functional disorders affecting the foot.	0	2.4	2	0
Adenoma, alpha-Cell [description not available]	0	2	1	0
Neovascularization, Optic Disc [description not available]	0	2	1	0
Retinal Neovascularization Formation of new blood vessels originating from the retinal veins and extending along the inner (vitreal) surface of the retina.	0	2	1	0
Myelomonocytic Leukemia, Chronic [description not available]	0	2	1	0
Leukemia, Myelomonocytic, Chronic A myelodysplastic-myeloproliferative disease characterized by monocytosis, increased monocytes in the bone marrow, variable degrees of dysplasia, but an absence of immature granulocytes in the blood.	0	2	1	0
Arterial Obstructive Diseases [description not available]	0	2	1	0
Arterial Occlusive Diseases Pathological processes which result in the partial or complete obstruction of ARTERIES. They are characterized by greatly reduced or absence of blood flow through these vessels. They are also known as arterial insufficiency.	0	2	1	0
Hydatid Mole [description not available]	0	3.39	1	1
Hydatidiform Mole Trophoblastic hyperplasia associated with normal gestation, or molar pregnancy. It is characterized by the swelling of the CHORIONIC VILLI and elevated human CHORIONIC GONADOTROPIN. Hydatidiform moles or molar pregnancy may be categorized as complete or partial based on their gross morphology, histopathology, and karyotype.	0	3.39	1	1
Adenohypophyseal Hyposecretion [description not available]	0	3.32	2	0
Hypopituitarism Diminution or cessation of secretion of one or more hormones from the anterior pituitary gland (including LH; FOLLICLE STIMULATING HORMONE; SOMATOTROPIN; and CORTICOTROPIN). This may result from surgical or radiation ablation, non-secretory PITUITARY NEOPLASMS, metastatic tumors, infarction, PITUITARY APOPLEXY, infiltrative or granulomatous processes, and other conditions.	0	3.32	2	0
Pregnancy in Diabetes [description not available]	0	2.67	3	0
Dementia Multi-Infarct [description not available]	0	2	1	0
Encephalitis, JC Polyomavirus [description not available]	0	2	1	0
Leukoencephalopathy, Progressive Multifocal An opportunistic viral infection of the central nervous system associated with conditions that impair cell-mediated immunity (e.g., ACQUIRED IMMUNODEFICIENCY SYNDROME and other IMMUNOLOGIC DEFICIENCY SYNDROMES; HEMATOLOGIC NEOPLASMS; IMMUNOSUPPRESSION; and COLLAGEN DISEASES). The causative organism is JC Polyomavirus (JC VIRUS) which primarily affects oligodendrocytes, resulting in multiple areas of demyelination. Clinical manifestations include DEMENTIA; ATAXIA; visual disturbances; and other focal neurologic deficits, generally progressing to a vegetative state within 6 months. (From Joynt, Clinical Neurology, 1996, Ch26, pp36-7)	0	2	1	0
Diffuse Myofascial Pain Syndrome [description not available]	0	2	1	0
Fibromyalgia A common nonarticular rheumatic syndrome characterized by myalgia and multiple points of focal muscle tenderness to palpation (trigger points). Muscle pain is typically aggravated by inactivity or exposure to cold. This condition is often associated with general symptoms, such as sleep disturbances, fatigue, stiffness, HEADACHES, and occasionally DEPRESSION. There is significant overlap between fibromyalgia and the chronic fatigue syndrome (FATIGUE SYNDROME, CHRONIC). Fibromyalgia may arise as a primary or secondary disease process. It is most frequent in females aged 20 to 50 years. (From Adams et al., Principles of Neurology, 6th ed, p1494-95)	0	2	1	0
Brain Emboli [description not available]	0	2.41	2	0
Autolysis The spontaneous disintegration of tissues or cells by the action of their own autogenous enzymes.	0	3.97	5	0
ADPKD [description not available]	0	2	1	0
Polycystic Kidney, Autosomal Dominant Kidney disorders with autosomal dominant inheritance and characterized by multiple CYSTS in both KIDNEYS with progressive deterioration of renal function.	0	2	1	0
Gait Disorders, Animal [description not available]	0	2	1	0
T-Cell Lymphoma [description not available]	0	2	1	0
Lymphoma, T-Cell A group of heterogeneous lymphoid tumors representing malignant transformations of T-lymphocytes.	0	2	1	0
Alveolitis, Fibrosing [description not available]	0	2.37	2	0
Pulmonary Fibrosis A process in which normal lung tissues are progressively replaced by FIBROBLASTS and COLLAGEN causing an irreversible loss of the ability to transfer oxygen into the bloodstream via PULMONARY ALVEOLI. Patients show progressive DYSPNEA finally resulting in death.	0	2.37	2	0
Dizzyness [description not available]	0	2	1	0
Dizziness An imprecise term which may refer to a sense of spatial disorientation, motion of the environment, or lightheadedness.	0	2	1	0
Carcinoma, Large Cell A tumor of undifferentiated (anaplastic) cells of large size. It is usually bronchogenic. (From Dorland, 27th ed)	0	2	1	0
Cranial Nerve Diseases Disorders of one or more of the twelve cranial nerves. With the exception of the optic and olfactory nerves, this includes disorders of the brain stem nuclei from which the cranial nerves originate or terminate.	0	2	1	0
Diabetes, Phosphate [description not available]	0	2.37	2	0
Hypophosphatemia, Familial An inherited condition of abnormally low serum levels of PHOSPHATES (below 1 mg/liter) which can occur in a number of genetic diseases with defective reabsorption of inorganic phosphorus by the PROXIMAL RENAL TUBULES. This leads to phosphaturia, HYPOPHOSPHATEMIA, and disturbances of cellular and organ functions such as those in X-LINKED HYPOPHOSPHATEMIC RICKETS; OSTEOMALACIA; and FANCONI SYNDROME.	0	2.37	2	0
Atopic Hypersensitivity [description not available]	0	2	1	0
Hepatitis, Animal INFLAMMATION of the LIVER in non-human animals.	0	2.39	2	0
Salivary Gland Diseases Diseases involving the SALIVARY GLANDS.	0	2	1	0
Spondylitis Inflammation of the SPINE. This includes both arthritic and non-arthritic conditions.	0	2.01	1	0
Constriction, Pathological [description not available]	0	2.01	1	0
Constriction, Pathologic The condition of an anatomical structure's being constricted beyond normal dimensions.	0	2.01	1	0
Gammapathy, Monoclonal [description not available]	0	2.01	1	0
Paraproteinemias A group of related diseases characterized by an unbalanced or disproportionate proliferation of immunoglobulin-producing cells, usually from a single clone. These cells frequently secrete a structurally homogeneous immunoglobulin (M-component) and/or an abnormal immunoglobulin.	0	2.01	1	0
Osteolysis Dissolution of bone that particularly involves the removal or loss of calcium.	0	2.01	1	0
Congenital Erythropoietic Porphyria [description not available]	0	2.01	1	0
Black Death [description not available]	0	2.01	1	0
Plague An acute infectious disease caused by YERSINIA PESTIS that affects humans, wild rodents, and their ectoparasites. This condition persists due to its firm entrenchment in sylvatic rodent-flea ecosystems throughout the world. Bubonic plague is the most common form.	0	2.01	1	0
46, XY Gonadal Dysgenesis [description not available]	0	2.01	1	0
Giardia duodenalis Infection [description not available]	0	2.36	2	0
Hepatitis, Infectious [description not available]	0	3.2	6	0
Giardiasis An infection of the SMALL INTESTINE caused by the flagellated protozoan GIARDIA. It is spread via contaminated food and water and by direct person-to-person contact.	0	2.36	2	0
Hepatitis A INFLAMMATION of the LIVER in humans caused by a member of the HEPATOVIRUS genus, HUMAN HEPATITIS A VIRUS. It can be transmitted through fecal contamination of food or water.	0	3.2	6	0
Adipocere [description not available]	0	2.86	4	0
Choline Deficiency A condition produced by a deficiency of CHOLINE in animals. Choline is known as a lipotropic agent because it has been shown to promote the transport of excess fat from the liver under certain conditions in laboratory animals. Combined deficiency of choline (included in the B vitamin complex) and all other methyl group donors causes liver cirrhosis in some animals. Unlike compounds normally considered as vitamins, choline does not serve as a cofactor in enzymatic reactions. (From Saunders Dictionary & Encyclopedia of Laboratory Medicine and Technology, 1984)	0	2.87	1	0
Intestinal Diseases Pathological processes in any segment of the INTESTINE from DUODENUM to RECTUM.	0	2.87	4	0
Essential Polyarteritis [description not available]	0	1.95	1	0
Dysphagia [description not available]	0	1.95	1	0
Deglutition Disorders Difficulty in SWALLOWING which may result from neuromuscular disorder or mechanical obstruction. Dysphagia is classified into two distinct types: oropharyngeal dysphagia due to malfunction of the PHARYNX and UPPER ESOPHAGEAL SPHINCTER; and esophageal dysphagia due to malfunction of the ESOPHAGUS.	0	1.95	1	0
Carbohydrate Metabolism, Inborn Error [description not available]	0	4.58	6	0
Arthropathies [description not available]	0	2.35	2	0
Joint Diseases Diseases involving the JOINTS.	0	2.35	2	0
Acne [description not available]	0	3.34	1	1
Acne Vulgaris A chronic disorder of the pilosebaceous apparatus associated with an increase in sebum secretion. It is characterized by open comedones (blackheads), closed comedones (whiteheads), and pustular nodules. The cause is unknown, but heredity and age are predisposing factors.	0	3.34	1	1
Glandular Fever [description not available]	0	2.35	2	0
Infectious Mononucleosis A common, acute infection usually caused by the Epstein-Barr virus (HERPESVIRUS 4, HUMAN). There is an increase in mononuclear white blood cells and other atypical lymphocytes, generalized lymphadenopathy, splenomegaly, and occasionally hepatomegaly with hepatitis.	0	2.35	2	0
Parakeratosis Persistence of the nuclei of the keratinocytes into the stratum corneum of the skin. This is a normal state only in the epithelium of true mucous membranes in the mouth and vagina. (Dorland, 27th ed)	0	1.95	1	0
Hemisensory Neglect [description not available]	0	1.95	1	0
Perceptual Disorders Cognitive disorders characterized by an impaired ability to perceive the nature of objects or concepts through use of the sense organs. These include spatial neglect syndromes, where an individual does not attend to visual, auditory, or sensory stimuli presented from one side of the body.	0	1.95	1	0
Long Sleeper Syndrome [description not available]	0	4.94	3	1
Sleep Wake Disorders Abnormal sleep-wake schedule or pattern associated with the CIRCADIAN RHYTHM which affect the length, timing, and/or rigidity of the sleep-wake cycle relative to the day-night cycle.	0	4.94	3	1
Adrenal Cortex Diseases Pathological processes of the ADRENAL CORTEX.	0	1.95	1	0
Choroid Neoplasms Tumors of the choroid; most common intraocular tumors are malignant melanomas of the choroid. These usually occur after puberty and increase in incidence with advancing age. Most malignant melanomas of the uveal tract develop from benign melanomas (nevi).	0	2.64	3	0
Fibroma, Shope [description not available]	0	2.64	3	0
Childhood Torsion Disease [description not available]	0	2.36	2	0
Chronic Motor and Vocal Tic Disorder [description not available]	0	2.37	2	0
Childhood Tic Disorders [description not available]	0	1.95	1	0
Tourette Syndrome A neuropsychological disorder related to alterations in DOPAMINE metabolism and neurotransmission involving frontal-subcortical neuronal circuits. Both multiple motor and one or more vocal tics need to be present with TICS occurring many times a day, nearly daily, over a period of more than one year. The onset is before age 18 and the disturbance is not due to direct physiological effects of a substance or another medical condition. The disturbance causes marked distress or significant impairment in social, occupational, or other important areas of functioning. (From DSM-IV, 1994; Neurol Clin 1997 May;15(2):357-79)	0	2.37	2	0
Carcinoma, Krebs 2 A transplantable neoplasm of mice.	0	4.39	22	0
Hypochondriacal Neuroses [description not available]	0	3.34	1	1
Pappataci Fever [description not available]	0	2.35	2	0
Dermatomycoses Superficial infections of the skin or its appendages by any of various fungi.	0	1.95	1	0
Aneuploid [description not available]	0	7.65	3	0
Gallstone Disease [description not available]	0	2.36	2	0
Cholelithiasis Presence or formation of GALLSTONES in the BILIARY TRACT, usually in the gallbladder (CHOLECYSTOLITHIASIS) or the common bile duct (CHOLEDOCHOLITHIASIS).	0	2.36	2	0
Pyloric Stenosis Narrowing of the pyloric canal with varied etiology. A common form is due to muscle hypertrophy (PYLORIC STENOSIS, HYPERTROPHIC) seen in infants.	0	1.95	1	0
Neutropenia A decrease in the number of NEUTROPHILS found in the blood.	0	1.95	1	0
Dermatosclerosis [description not available]	0	2.65	3	0
Scleroderma, Localized A term used to describe a variety of localized asymmetrical SKIN thickening that is similar to those of SYSTEMIC SCLERODERMA but without the disease features in the multiple internal organs and BLOOD VESSELS. Lesions may be characterized as patches or plaques (morphea), bands (linear), or nodules.	0	2.65	3	0
Viral Hepatitis, Human [description not available]	0	2.36	2	0
Mushroom Poisoning Poisoning from ingestion of mushrooms, primarily from, but not restricted to, toxic varieties.	0	1.95	1	0
Hepatitis, Viral, Human INFLAMMATION of the LIVER in humans due to infection by VIRUSES. There are several significant types of human viral hepatitis with infection caused by enteric-transmission (HEPATITIS A; HEPATITIS E) or blood transfusion (HEPATITIS B; HEPATITIS C; and HEPATITIS D).	0	2.36	2	0
Brazilian Spotted Fever [description not available]	0	1.95	1	0
Rocky Mountain Spotted Fever An acute febrile illness caused by RICKETTSIA RICKETTSII. It is transmitted to humans by bites of infected ticks and occurs only in North and South America. Characteristics include a sudden onset with headache and chills and fever lasting about two to three weeks. A cutaneous rash commonly appears on the extremities and trunk about the fourth day of illness.	0	1.95	1	0
Ganglioside Storage Diseases [description not available]	0	1.95	1	0
Acid Alpha-Glucosidase Deficiency [description not available]	0	1.95	1	0
Mucopolysaccharidosis [description not available]	0	3.78	4	0
AGA Deficiency [description not available]	0	1.95	1	0
Gangliosidoses A group of autosomal recessive lysosomal storage disorders marked by the accumulation of GANGLIOSIDES. They are caused by impaired enzymes or defective cofactors required for normal ganglioside degradation in the LYSOSOMES. Gangliosidoses are classified by the specific ganglioside accumulated in the defective degradation pathway.	0	1.95	1	0
Glycogen Storage Disease Type II An autosomal recessively inherited glycogen storage disease caused by GLUCAN 1,4-ALPHA-GLUCOSIDASE deficiency. Large amounts of GLYCOGEN accumulate in the LYSOSOMES of skeletal muscle (MUSCLE, SKELETAL); HEART; LIVER; SPINAL CORD; and BRAIN. Three forms have been described: infantile, childhood, and adult. The infantile form is fatal in infancy and presents with hypotonia and a hypertrophic cardiomyopathy (CARDIOMYOPATHY, HYPERTROPHIC). The childhood form usually presents in the second year of life with proximal weakness and respiratory symptoms. The adult form consists of a slowly progressive proximal myopathy. (From Muscle Nerve 1995;3:S61-9; Menkes, Textbook of Child Neurology, 5th ed, pp73-4)	0	1.95	1	0
Mucopolysaccharidoses Group of lysosomal storage diseases each caused by an inherited deficiency of an enzyme involved in the degradation of glycosaminoglycans (mucopolysaccharides). The diseases are progressive and often display a wide spectrum of clinical severity within one enzyme deficiency.	0	3.78	4	0
Infections, Rickettsia [description not available]	0	3.27	2	0
Francisella tularensis Infection [description not available]	0	3.55	3	0
Viral Diseases [description not available]	0	3.2	6	0
Tularemia A plague-like disease of rodents, transmissible to man. It is caused by FRANCISELLA TULARENSIS and is characterized by fever, chills, headache, backache, and weakness.	0	3.55	3	0
Virus Diseases A general term for diseases caused by viruses.	0	3.2	6	0
Cerebral Pseudosclerosis [description not available]	0	3.26	2	0
Porphyria [description not available]	0	4.24	4	0
Sphingolipid Storage Diseases [description not available]	0	2.87	1	0
Hepatolenticular Degeneration A rare autosomal recessive disease characterized by the deposition of copper in the BRAIN; LIVER; CORNEA; and other organs. It is caused by defects in the ATP7B gene encoding copper-transporting ATPase 2 (EC 3.6.3.4), also known as the Wilson disease protein. The overload of copper inevitably leads to progressive liver and neurological dysfunction such as LIVER CIRRHOSIS; TREMOR; ATAXIA and intellectual deterioration. Hepatic dysfunction may precede neurologic dysfunction by several years.	0	3.26	2	0
Porphyrias A diverse group of metabolic diseases characterized by errors in the biosynthetic pathway of HEME in the LIVER, the BONE MARROW, or both. They are classified by the deficiency of specific enzymes, the tissue site of enzyme defect, or the clinical features that include neurological (acute) or cutaneous (skin lesions). Porphyrias can be hereditary or acquired as a result of toxicity to the hepatic or erythropoietic marrow tissues.	0	4.24	4	0
Aneurysm, Aortic [description not available]	0	1.95	1	0
Aortic Aneurysm An abnormal balloon- or sac-like dilatation in the wall of AORTA.	0	1.95	1	0
Primary Peritonitis [description not available]	0	2.35	2	0
Peritonitis INFLAMMATION of the PERITONEUM lining the ABDOMINAL CAVITY as the result of infectious, autoimmune, or chemical processes. Primary peritonitis is due to infection of the PERITONEAL CAVITY via hematogenous or lymphatic spread and without intra-abdominal source. Secondary peritonitis arises from the ABDOMINAL CAVITY itself through RUPTURE or ABSCESS of intra-abdominal organs.	0	2.35	2	0
Friedreich Disease [description not available]	0	1.95	1	0
Friedreich Ataxia An autosomal recessive disease, usually of childhood onset, characterized pathologically by degeneration of the spinocerebellar tracts, posterior columns, and to a lesser extent the corticospinal tracts. Clinical manifestations include GAIT ATAXIA, pes cavus, speech impairment, lateral curvature of spine, rhythmic head tremor, kyphoscoliosis, congestive heart failure (secondary to a cardiomyopathy), and lower extremity weakness. Most forms of this condition are associated with a mutation in a gene on chromosome 9, at band q13, which codes for the mitochondrial protein frataxin. (From Adams et al., Principles of Neurology, 6th ed, p1081; N Engl J Med 1996 Oct 17;335(16):1169-75) The severity of Friedreich ataxia associated with expansion of GAA repeats in the first intron of the frataxin gene correlates with the number of trinucleotide repeats. (From Durr et al, N Engl J Med 1996 Oct 17;335(16):1169-75)	0	1.95	1	0
Acute Kidney Tubular Necrosis [description not available]	0	1.95	1	0
Kidney Tubular Necrosis, Acute Acute kidney failure resulting from destruction of EPITHELIAL CELLS of the KIDNEY TUBULES. It is commonly attributed to exposure to toxic agents or renal ISCHEMIA following severe TRAUMA.	0	1.95	1	0
Granulomatosis, Wegener's [description not available]	0	1.95	1	0
Granulomatosis with Polyangiitis A multisystemic disease of a complex genetic background. It is characterized by inflammation of the blood vessels (VASCULITIS) leading to damage in any number of organs. The common features include granulomatous inflammation of the RESPIRATORY TRACT and KIDNEYS. Most patients have measurable autoantibodies (ANTINEUTROPHIL CYTOPLASMIC ANTIBODIES) against MYELOBLASTIN.	0	1.95	1	0
Agranulocytosis A decrease in the number of GRANULOCYTES; (BASOPHILS; EOSINOPHILS; and NEUTROPHILS).	0	4.02	3	1
Aqueductal Stenosis [description not available]	0	1.95	1	0
Uveal Neoplasms Tumors or cancer of the UVEA.	0	1.98	1	0
Hyperoxaluria Excretion of an excessive amount of OXALATES in the urine.	0	6.98	1	0
Cirrhoses, Experimental Liver [description not available]	0	2.36	2	0
Dubin-Johnson Syndrome [description not available]	0	1.98	1	0
MPTP Neurotoxicity Syndrome [description not available]	0	1.98	1	0
Aseptic Meningitis [description not available]	0	1.97	1	0
Meningitis, Aseptic A syndrome characterized by headache, neck stiffness, low grade fever, and CSF lymphocytic pleocytosis in the absence of an acute bacterial pathogen. Viral meningitis is the most frequent cause although MYCOPLASMA INFECTIONS; RICKETTSIA INFECTIONS; diagnostic or therapeutic procedures; NEOPLASTIC PROCESSES; septic perimeningeal foci; and other conditions may result in this syndrome. (From Adams et al., Principles of Neurology, 6th ed, p745)	0	1.97	1	0
Premenstrual Tension A term used to describe the psychological aspects of PREMENSTRUAL SYNDROME, such as the indescribable tension, depression, hostility, and increased seizure activity in women with seizure disorder.	0	1.97	1	0
Premenstrual Syndrome A combination of distressing physical, psychologic, or behavioral changes that occur during the luteal phase of the menstrual cycle. Symptoms of PMS are diverse (such as pain, water-retention, anxiety, cravings, and depression) and they diminish markedly 2 or 3 days after the initiation of menses.	0	1.97	1	0
Agoraphobia Obsessive, persistent, intense fear of open places.	0	1.97	1	0
Hypervitaminosis A A symptom complex resulting from ingesting excessive amounts of VITAMIN A.	0	1.97	1	0
Fungus Poisoning [description not available]	0	2.89	1	0
Amaurotic Familial Idiocy An outdated term for Tay-Sachs disease.	0	1.97	1	0
Tay-Sachs Disease An autosomal recessive neurodegenerative disorder characterized by the onset in infancy of an exaggerated startle response, followed by paralysis, dementia, and blindness. It is caused by mutation in the alpha subunit of the HEXOSAMINIDASE A resulting in lipid-laden ganglion cells. It is also known as the B variant (with increased HEXOSAMINIDASE B but absence of hexosaminidase A) and is strongly associated with Ashkenazic Jewish ancestry.	0	6.97	1	0
Ileitis Inflammation of any segment of the ILEUM and the ILEOCECAL VALVE.	0	1.97	1	0
Convulsions, Grand Mal [description not available]	0	1.97	1	0
Epilepsy, Tonic-Clonic A generalized seizure disorder characterized by recurrent major motor seizures. The initial brief tonic phase is marked by trunk flexion followed by diffuse extension of the trunk and extremities. The clonic phase features rhythmic flexor contractions of the trunk and limbs, pupillary dilation, elevations of blood pressure and pulse, urinary incontinence, and tongue biting. This is followed by a profound state of depressed consciousness (post-ictal state) which gradually improves over minutes to hours. The disorder may be cryptogenic, familial, or symptomatic (caused by an identified disease process). (From Adams et al., Principles of Neurology, 6th ed, p329)	0	1.97	1	0
Pink Eye [description not available]	0	1.97	1	0
Conjunctivitis INFLAMMATION of the CONJUNCTIVA.	0	1.97	1	0
Acid beta-Glucosidase Deficiency [description not available]	0	1.97	1	0
Gaucher Disease An autosomal recessive disorder caused by a deficiency of acid beta-glucosidase (GLUCOSYLCERAMIDASE) leading to intralysosomal accumulation of glycosylceramide mainly in cells of the MONONUCLEAR PHAGOCYTE SYSTEM. The characteristic Gaucher cells, glycosphingolipid-filled HISTIOCYTES, displace normal cells in BONE MARROW and visceral organs causing skeletal deterioration, hepatosplenomegaly, and organ dysfunction. There are several subtypes based on the presence and severity of neurological involvement.	0	1.97	1	0
Back Ache [description not available]	0	3.36	1	1
Back Pain Acute or chronic pain located in the posterior regions of the THORAX; LUMBOSACRAL REGION; or the adjacent regions.	0	8.36	1	1
Inner Ear Disease [description not available]	0	1.97	1	0
Labyrinth Diseases Pathological processes of the inner ear (LABYRINTH) which contains the essential apparatus of hearing (COCHLEA) and balance (SEMICIRCULAR CANALS).	0	1.97	1	0
Osseous Paget's Disease [description not available]	0	2.36	2	0
Osteitis Deformans A disease marked by repeated episodes of increased bone resorption followed by excessive attempts at repair, resulting in weakened, deformed bones of increased mass. The resultant architecture of the bone assumes a mosaic pattern in which the fibers take on a haphazard pattern instead of the normal parallel symmetry.	0	2.36	2	0
Abnormality, Torsion [description not available]	0	1.97	1	0
Armstrong Syndrome [description not available]	0	1.97	1	0
Hyperphagia Ingestion of a greater than optimal quantity of food.	0	1.97	1	0
Anorexia The lack or loss of APPETITE accompanied by an aversion to food and the inability to eat. It is the defining characteristic of the disorder ANOREXIA NERVOSA.	0	1.97	1	0
Acrania [description not available]	0	1.97	1	0
Neural Tube Defects Congenital malformations of the central nervous system and adjacent structures related to defective neural tube closure during the first trimester of pregnancy generally occurring between days 18-29 of gestation. Ectodermal and mesodermal malformations (mainly involving the skull and vertebrae) may occur as a result of defects of neural tube closure. (From Joynt, Clinical Neurology, 1992, Ch55, pp31-41)	0	1.97	1	0
Coronary Vessel Anomalies Malformations of CORONARY VESSELS, either arteries or veins. Included are anomalous origins of coronary arteries; ARTERIOVENOUS FISTULA; CORONARY ANEURYSM; MYOCARDIAL BRIDGING; and others.	0	1.97	1	0
Xeroderma [description not available]	0	2.37	2	0
Ichthyosis Any of several generalized skin disorders characterized by dryness, roughness, and scaliness, due to hypertrophy of the stratum corneum epidermis. Most are genetic, but some are acquired, developing in association with other systemic disease or genetic syndrome.	0	2.37	2	0
Sinus Infections [description not available]	0	1.97	1	0
Sinusitis Inflammation of the NASAL MUCOSA in one or more of the PARANASAL SINUSES.	0	1.97	1	0
Cancer of Salivary Gland [description not available]	0	1.96	1	0
Salivary Gland Neoplasms Tumors or cancer of the SALIVARY GLANDS.	0	1.96	1	0
Basal Ganglia Diseases Diseases of the BASAL GANGLIA including the PUTAMEN; GLOBUS PALLIDUS; claustrum; AMYGDALA; and CAUDATE NUCLEUS. DYSKINESIAS (most notably involuntary movements and alterations of the rate of movement) represent the primary clinical manifestations of these disorders. Common etiologies include CEREBROVASCULAR DISORDERS; NEURODEGENERATIVE DISEASES; and CRANIOCEREBRAL TRAUMA.	0	2.37	2	0
Eye Cancer, Retinoblastoma [description not available]	0	1.97	1	0
Retinoblastoma A malignant tumor arising from the nuclear layer of the retina that is the most common primary tumor of the eye in children. The tumor tends to occur in early childhood or infancy and may be present at birth. The majority are sporadic, but the condition may be transmitted as an autosomal dominant trait. Histologic features include dense cellularity, small round polygonal cells, and areas of calcification and necrosis. An abnormal pupil reflex (leukokoria); NYSTAGMUS, PATHOLOGIC; STRABISMUS; and visual loss represent common clinical characteristics of this condition. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, p2104)	0	1.97	1	0
Sclerosis, Systemic [description not available]	0	2.36	2	0
Scleroderma, Systemic A chronic multi-system disorder of CONNECTIVE TISSUE. It is characterized by SCLEROSIS in the SKIN, the LUNGS, the HEART, the GASTROINTESTINAL TRACT, the KIDNEYS, and the MUSCULOSKELETAL SYSTEM. Other important features include diseased small BLOOD VESSELS and AUTOANTIBODIES. The disorder is named for its most prominent feature (hard skin), and classified into subsets by the extent of skin thickening: LIMITED SCLERODERMA and DIFFUSE SCLERODERMA.	0	2.36	2	0
Island Cell Tumor [description not available]	0	2.86	4	0
Adenoma, Islet Cell A benign tumor of the pancreatic ISLET CELLS. Usually it involves the INSULIN-producing PANCREATIC BETA CELLS, as in INSULINOMA, resulting in HYPERINSULINISM.	0	2.86	4	0
Cor Pulmonale [description not available]	0	1.97	1	0
Gasser Syndrome [description not available]	0	1.97	1	0
Hemolytic-Uremic Syndrome A syndrome that is associated with microvascular diseases of the KIDNEY, such as RENAL CORTICAL NECROSIS. It is characterized by hemolytic anemia (ANEMIA, HEMOLYTIC); THROMBOCYTOPENIA; and ACUTE RENAL FAILURE.	0	1.97	1	0
Labhart-Willi Syndrome [description not available]	0	1.97	1	0
Prader-Willi Syndrome An autosomal dominant disorder caused by deletion of the proximal long arm of the paternal chromosome 15 (15q11-q13) or by inheritance of both of the pair of chromosomes 15 from the mother (UNIPARENTAL DISOMY) which are imprinted (GENETIC IMPRINTING) and hence silenced. Clinical manifestations include MENTAL RETARDATION; MUSCULAR HYPOTONIA; HYPERPHAGIA; OBESITY; short stature; HYPOGONADISM; STRABISMUS; and HYPERSOMNOLENCE. (Menkes, Textbook of Child Neurology, 5th ed, p229)	0	1.97	1	0
Diseases of Endocrine System [description not available]	0	1.96	1	0
Endocrine System Diseases Pathological processes of the ENDOCRINE GLANDS, and diseases resulting from abnormal level of available HORMONES.	0	1.96	1	0
Antibody Deficiency Syndrome [description not available]	0	1.97	1	0
Immunologic Deficiency Syndromes Syndromes in which there is a deficiency or defect in the mechanisms of immunity, either cellular or humoral.	0	1.97	1	0
Brain Embolism and Thrombosis [description not available]	0	1.97	1	0
Histiocytic Sarcoma Malignant neoplasms composed of MACROPHAGES or DENDRITIC CELLS. Most histiocytic sarcomas present as localized tumor masses without a leukemic phase. Though the biological behavior of these neoplasms resemble lymphomas, their cell lineage is histiocytic not lymphoid.	0	2.37	2	0
Rubeola [description not available]	0	2.36	2	0
Measles A highly contagious infectious disease caused by MORBILLIVIRUS, common among children but also seen in the nonimmune of any age, in which the virus enters the respiratory tract via droplet nuclei and multiplies in the epithelial cells, spreading throughout the MONONUCLEAR PHAGOCYTE SYSTEM.	0	2.36	2	0
Hair Diseases Diseases affecting the orderly growth and persistence of hair.	0	2.37	2	0
Abscess Accumulation of purulent material in tissues, organs, or circumscribed spaces, usually associated with signs of infection.	0	1.97	1	0
Fatty Liver with Encephalopathy [description not available]	0	1.97	1	0
Neisseria gonorrhoeae Infection [description not available]	0	1.96	1	0
Gonorrhea Acute infectious disease characterized by primary invasion of the urogenital tract. The etiologic agent, NEISSERIA GONORRHOEAE, was isolated by Neisser in 1879.	0	1.96	1	0
Remission, Spontaneous A spontaneous diminution or abatement of a disease over time, without formal treatment.	0	2.64	3	0
Separation Anxiety Disorder [description not available]	0	1.96	1	0
Anxiety, Separation Anxiety experienced by an individual upon separation from a person or object of particular significance to the individual.	0	1.96	1	0
Hemorrhage, Uterine [description not available]	0	2.35	2	0
Uterine Hemorrhage Bleeding from blood vessels in the UTERUS, sometimes manifested as vaginal bleeding.	0	2.35	2	0
Multiple Primary Neoplasms [description not available]	0	2.35	2	0
Psychophysiologic Disorders A group of disorders characterized by physical symptoms that are affected by emotional factors and involve a single organ system, usually under AUTONOMIC NERVOUS SYSTEM control. (American Psychiatric Glossary, 1988)	0	1.95	1	0
Infections, Poxviridae [description not available]	0	1.94	1	0
Trypanosomiasis Infection with protozoa of the genus TRYPANOSOMA.	0	1.95	1	0
Skin Manifestations Dermatologic disorders attendant upon non-dermatologic disease or injury.	0	3.55	3	0
Orbital Neoplasms Neoplasms of the bony orbit and contents except the eyeball.	0	3.26	2	0
Birth Injuries Mechanical or anoxic trauma incurred by the infant during labor or delivery.	0	2.35	2	0
Monkey Diseases Diseases of Old World and New World monkeys. This term includes diseases of baboons but not of chimpanzees or gorillas (= APE DISEASES).	0	2.35	2	0
Hypoproteinemia A condition in which total serum protein level is below the normal range. Hypoproteinemia can be caused by protein malabsorption in the gastrointestinal tract, EDEMA, or PROTEINURIA.	0	2.64	3	0
Lipidoses Conditions characterized by abnormal lipid deposition due to disturbance in lipid metabolism, such as hereditary diseases involving lysosomal enzymes required for lipid breakdown. They are classified either by the enzyme defect or by the type of lipid involved.	0	3.04	5	0
Marfan Syndrome, Type I [description not available]	0	1.94	1	0
Angiomatosis A condition with multiple tumor-like lesions caused either by congenital or developmental malformations of BLOOD VESSELS, or reactive vascular proliferations, such as in bacillary angiomatosis. Angiomatosis is considered non-neoplastic.	0	1.94	1	0
Congenital Syphilis [description not available]	0	1.94	1	0
Laurence-Moon Syndrome An autosomal recessive condition characterized by hypogonadism; spinocerebellar degeneration; MENTAL RETARDATION; RETINITIS PIGMENTOSA; and OBESITY. This syndrome was previously referred to as Laurence-Moon-Biedl syndrome until BARDET-BIEDL SYNDROME was identified as a distinct entity. (From N Engl J Med. 1989 Oct 12;321(15):1002-9)	0	1.94	1	0
Marfan Syndrome An autosomal dominant disorder of CONNECTIVE TISSUE with abnormal features in the heart, the eye, and the skeleton. Cardiovascular manifestations include MITRAL VALVE PROLAPSE, dilation of the AORTA, and aortic dissection. Other features include lens displacement (ectopia lentis), disproportioned long limbs and enlarged DURA MATER (dural ectasia). Marfan syndrome (type 1) is associated with mutations in the gene encoding FIBRILLIN-1 (FBN1), a major element of extracellular microfibrils of connective tissue. Mutations in the gene encoding TYPE II TGF-BETA RECEPTOR (TGFBR2) are associated with Marfan syndrome type 2.	0	1.94	1	0
Syphilis, Congenital Syphilis acquired in utero and manifested by any of several characteristic tooth (Hutchinson's teeth) or bone malformations and by active mucocutaneous syphilis at birth or shortly thereafter. Ocular and neurologic changes may also occur.	0	1.94	1	0
Bouillaud Disease [description not available]	0	1.95	1	0
Rheumatic Heart Disease Cardiac manifestation of systemic rheumatological conditions, such as RHEUMATIC FEVER. Rheumatic heart disease can involve any part the heart, most often the HEART VALVES and the ENDOCARDIUM.	0	1.95	1	0
Foot and Mouth Disease [description not available]	0	1.94	1	0
Exomphalos [description not available]	0	1.94	1	0
alpha-L-Iduronidase Deficiency [description not available]	0	1.94	1	0
Hernia, Umbilical A HERNIA due to an imperfect closure or weakness of the umbilical ring. It appears as a skin-covered protrusion at the UMBILICUS during crying, coughing, or straining. The hernia generally consists of OMENTUM or SMALL INTESTINE. The vast majority of umbilical hernias are congenital but can be acquired due to severe abdominal distention.	0	1.94	1	0
Mucopolysaccharidosis I Systemic lysosomal storage disease caused by a deficiency of alpha-L-iduronidase (IDURONIDASE) and characterized by progressive physical deterioration with urinary excretion of DERMATAN SULFATE and HEPARAN SULFATE. There are three recognized phenotypes representing a spectrum of clinical severity from severe to mild: Hurler syndrome, Hurler-Scheie syndrome and Scheie syndrome (formerly mucopolysaccharidosis V). Symptoms may include DWARFISM; hepatosplenomegaly; thick, coarse facial features with low nasal bridge; corneal clouding; cardiac complications; and noisy breathing.	0	1.94	1	0
Cystadenoma A benign neoplasm derived from glandular epithelium, in which cystic accumulations of retained secretions are formed. In some instances, considerable portions of the neoplasm, or even the entire mass, may be cystic. (Stedman, 25th ed)	0	1.94	1	0
Blue Tongue [description not available]	0	1.94	1	0
Ovine Diseases [description not available]	0	1.94	1	0
Atypical Ductal Hyperplasia [description not available]	0	1.94	1	0
Adenocarcinoma, Papillary An adenocarcinoma containing finger-like processes of vascular connective tissue covered by neoplastic epithelium, projecting into cysts or the cavity of glands or follicles. It occurs most frequently in the ovary and thyroid gland. (Stedman, 25th ed)	0	1.94	1	0
Cancer of Cecum [description not available]	0	1.94	1	0
Carcinoma, Intraductal, Noninfiltrating A noninvasive (noninfiltrating) carcinoma of the breast characterized by a proliferation of malignant epithelial cells confined to the mammary ducts or lobules, without light-microscopy evidence of invasion through the basement membrane into the surrounding stroma.	0	1.94	1	0
Cytomegalovirus A genus of the family HERPESVIRIDAE, subfamily BETAHERPESVIRINAE, infecting the salivary glands, liver, spleen, lungs, eyes, and other organs, in which they produce characteristically enlarged cells with intranuclear inclusions. Infection with Cytomegalovirus is also seen as an opportunistic infection in AIDS.	0	1.94	1	0
Chemodectoma [description not available]	0	1.94	1	0
Neoplasms, Nerve Tissue Neoplasms composed of nerve tissue. This concept does not refer to neoplasms located in the nervous system or its component nerves.	0	1.94	1	0
Polyploid [description not available]	0	1.94	1	0
Chromosomal Triplication [description not available]	0	2.35	2	0
Neoplasms, Bronchial [description not available]	0	2.86	4	0
Bronchial Neoplasms Tumors or cancer of the BRONCHI.	0	2.86	4	0
Retinal Pigment Epithelial Detachment [description not available]	0	2.64	3	0
Retinal Detachment Separation of the inner layers of the retina (neural retina) from the pigment epithelium. Retinal detachment occurs more commonly in men than in women, in eyes with degenerative myopia, in aging and in aphakia. It may occur after an uncomplicated cataract extraction, but it is seen more often if vitreous humor has been lost during surgery. (Dorland, 27th ed; Newell, Ophthalmology: Principles and Concepts, 7th ed, p310-12).	0	2.64	3	0
Deficiency, Hexosediphosphatase [description not available]	0	1.95	1	0
Rodent Diseases Diseases of rodents of the order RODENTIA. This term includes diseases of Sciuridae (squirrels), Geomyidae (gophers), Heteromyidae (pouched mice), Castoridae (beavers), Cricetidae (rats and mice), Muridae (Old World rats and mice), Erethizontidae (porcupines), and Caviidae (guinea pigs).	0	1.94	1	0
Duodenal Diseases Pathological conditions in the DUODENUM region of the small intestine (INTESTINE, SMALL).	0	1.95	1	0
Lathyrism A paralytic condition of the legs caused by ingestion of lathyrogens, especially BETA-AMINOPROPIONITRILE or beta-N-oxalyl amino-L-alanine, which are found in the seeds of plants of the genus LATHYRUS.	0	1.95	1	0
Cancer of Granulosa Cells [description not available]	0	1.95	1	0
Dysembryoma [description not available]	0	2.35	2	0
Teratoma A true neoplasm composed of a number of different types of tissue, none of which is native to the area in which it occurs. It is composed of tissues that are derived from three germinal layers, the endoderm, mesoderm, and ectoderm. They are classified histologically as mature (benign) or immature (malignant). (From DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1642)	0	2.35	2	0
Fallot's Tetralogy [description not available]	0	1.95	1	0
Tetralogy of Fallot A combination of congenital heart defects consisting of four key features including VENTRICULAR SEPTAL DEFECTS; PULMONARY STENOSIS; RIGHT VENTRICULAR HYPERTROPHY; and a dextro-positioned AORTA. In this condition, blood from both ventricles (oxygen-rich and oxygen-poor) is pumped into the body often causing CYANOSIS.	0	1.95	1	0
Appetite Disorders [description not available]	0	2.35	2	0
Feeding and Eating Disorders A group of disorders characterized by physiological and psychological disturbances in appetite or food intake.	0	2.35	2	0
Enteropathy, Exudative [description not available]	0	1.94	1	0
Protein-Losing Enteropathies Pathological conditions in the INTESTINES that are characterized by the gastrointestinal loss of serum proteins, including SERUM ALBUMIN; IMMUNOGLOBULINS; and at times LYMPHOCYTES. Severe condition can result in HYPOGAMMAGLOBULINEMIA or LYMPHOPENIA. Protein-losing enteropathies are associated with a number of diseases including INTESTINAL LYMPHANGIECTASIS; WHIPPLE'S DISEASE; and NEOPLASMS of the SMALL INTESTINE.	0	1.94	1	0
Testicular Diseases Pathological processes of the TESTIS.	0	2.86	1	0
Infections, Mycobacterium [description not available]	0	1.95	1	0
Mycobacterium Infections Infections with bacteria of the genus MYCOBACTERIUM.	0	1.95	1	0
Ovarian Diseases Pathological processes of the OVARY.	0	2.35	2	0
Cyst [description not available]	0	1.94	1	0
Bed Sores [description not available]	0	1.94	1	0
Leg Ulcer Ulceration of the skin and underlying structures of the lower extremity. About 90% of the cases are due to venous insufficiency (VARICOSE ULCER), 5% to arterial disease, and the remaining 5% to other causes.	0	1.94	1	0
Pressure Ulcer An ulceration caused by prolonged pressure on the SKIN and TISSUES when one stays in one position for a long period of time, such as lying in bed. The bony areas of the body are the most frequently affected sites which become ischemic (ISCHEMIA) under sustained and constant pressure.	0	1.94	1	0
Gastroenteritis INFLAMMATION of any segment of the GASTROINTESTINAL TRACT from ESOPHAGUS to RECTUM. Causes of gastroenteritis are many including genetic, infection, HYPERSENSITIVITY, drug effects, and CANCER.	0	2.35	2	0
Vaginal Diseases Pathological processes of the VAGINA.	0	1.94	1	0
Vulvovaginitis Inflammation of the VULVA and the VAGINA, characterized by discharge, burning, and PRURITUS.	0	1.94	1	0
Thalassemias [description not available]	0	2.63	3	0
Thalassemia A group of hereditary hemolytic anemias in which there is decreased synthesis of one or more hemoglobin polypeptide chains. There are several genetic types with clinical pictures ranging from barely detectable hematologic abnormality to severe and fatal anemia.	0	2.63	3	0
Anaplastic Ependymoma [description not available]	0	2.35	2	0
Ependymoma Glioma derived from EPENDYMOGLIAL CELLS that tend to present as malignant intracranial tumors in children and as benign intraspinal neoplasms in adults. It may arise from any level of the ventricular system or central canal of the spinal cord. Intracranial ependymomas most frequently originate in the FOURTH VENTRICLE and histologically are densely cellular tumors which may contain ependymal tubules and perivascular pseudorosettes. Spinal ependymomas are usually benign papillary or myxopapillary tumors. (From DeVita et al., Principles and Practice of Oncology, 5th ed, p2018; Escourolle et al., Manual of Basic Neuropathology, 2nd ed, pp28-9)	0	2.35	2	0
Cramp [description not available]	0	1.94	1	0
Muscle Cramp A sustained and usually painful contraction of muscle fibers. This may occur as an isolated phenomenon or as a manifestation of an underlying disease process (e.g., UREMIA; HYPOTHYROIDISM; MOTOR NEURON DISEASE; etc.). (From Adams et al., Principles of Neurology, 6th ed, p1398)	0	1.94	1	0
Deficiency, Vitamin E [description not available]	0	2.64	3	0
Cancer of the Vulva [description not available]	0	1.95	1	0
Cancer of the Vagina [description not available]	0	1.95	1	0
Vaginal Neoplasms Tumors or cancer of the VAGINA.	0	1.95	1	0
Vulvar Neoplasms Tumors or cancer of the VULVA.	0	1.95	1	0
Harelip [description not available]	0	2.64	3	0
Cleft Palate, Isolated [description not available]	0	2.64	3	0
Cleft Lip Congenital defect in the upper lip where the maxillary prominence fails to merge with the merged medial nasal prominences. It is thought to be caused by faulty migration of the mesoderm in the head region.	0	7.64	3	0
Cleft Palate Congenital fissure of the soft and/or hard palate, due to faulty fusion.	0	7.64	3	0
Biliary Fistula Abnormal passage in any organ of the biliary tract or between biliary organs and other organs.	0	1.95	1	0
Hymenolepiasis Infection with tapeworms of the genus Hymenolepis.	0	2.35	2	0
Shingles [description not available]	0	1.95	1	0
Parathyroid Disorders [description not available]	0	1.95	1	0
Herpes Zoster An acute infectious, usually self-limited, disease believed to represent activation of latent varicella-zoster virus (HERPESVIRUS 3, HUMAN) in those who have been rendered partially immune after a previous attack of CHICKENPOX. It involves the SENSORY GANGLIA and their areas of innervation and is characterized by severe neuralgic pain along the distribution of the affected nerve and crops of clustered vesicles over the area. (From Dorland, 27th ed)	0	1.95	1	0
Parathyroid Diseases Pathological processes of the PARATHYROID GLANDS. They usually manifest as hypersecretion or hyposecretion of PARATHYROID HORMONE that regulates the balance of CALCIUM; PHOSPHORUS; and MAGNESIUM in the body.	0	1.95	1	0
Cronobacter Infections [description not available]	0	1.95	1	0
Enterobacteriaceae Infections Infections with bacteria of the family ENTEROBACTERIACEAE.	0	1.95	1	0
Kussmaul Aphasia [description not available]	0	1.95	1	0
Urinary Tract Infections Inflammatory responses of the epithelium of the URINARY TRACT to microbial invasions. They are often bacterial infections with associated BACTERIURIA and PYURIA.	0	1.95	1	0
Diseases, Occupational [description not available]	0	3.73	2	1
Dermatophytoses [description not available]	0	1.95	1	0
Tinea Fungal infection of keratinized tissues such as hair, skin and nails. The main causative fungi include MICROSPORUM; TRICHOPHYTON; and EPIDERMOPHYTON.	0	1.95	1	0
Urinary Tract Diseases [description not available]	0	1.95	1	0
Bacteriuria The presence of bacteria in the urine which is normally bacteria-free. These bacteria are from the URINARY TRACT and are not contaminants of the surrounding tissues. Bacteriuria can be symptomatic or asymptomatic. Significant bacteriuria is an indicator of urinary tract infection.	0	1.94	1	0
Complications, Infectious Pregnancy [description not available]	0	1.94	1	0
Psychoses, Drug [description not available]	0	2.86	1	0
Manganese Poisoning Manganese poisoning is associated with chronic inhalation of manganese particles by individuals who work with manganese ore. Clinical features include CONFUSION; HALLUCINATIONS; and an extrapyramidal syndrome (PARKINSON DISEASE, SECONDARY) that includes rigidity; DYSTONIA; retropulsion; and TREMOR. (Adams, Principles of Neurology, 6th ed, p1213)	0	4.65	2	1
Heart Valve Diseases Pathological conditions involving any of the various HEART VALVES and the associated structures (PAPILLARY MUSCLES and CHORDAE TENDINEAE).	0	3.26	2	0
Burkholderia pseudomallei Infection [description not available]	0	2.86	1	0
Familial Felty Syndrome [description not available]	0	1.94	1	0
Brill-Symmers Disease [description not available]	0	1.94	1	0
Lymphoma, Follicular Malignant lymphoma in which the lymphomatous cells are clustered into identifiable nodules within the LYMPH NODES. The nodules resemble to some extent the GERMINAL CENTER of lymph node follicles and most likely represent neoplastic proliferation of lymph node-derived follicular center B-LYMPHOCYTES.	0	1.94	1	0
Dermatitis Any inflammation of the skin.	0	1.94	1	0
Neoplasms, Pleural [description not available]	0	1.94	1	0
Hand-Schu00FCller-Christian Disease [description not available]	0	1.94	1	0
Diabetes Insipidus A disease that is characterized by frequent urination, excretion of large amounts of dilute URINE, and excessive THIRST. Etiologies of diabetes insipidus include deficiency of antidiuretic hormone (also known as ADH or VASOPRESSIN) secreted by the NEUROHYPOPHYSIS, impaired KIDNEY response to ADH, and impaired hypothalamic regulation of thirst.	0	1.94	1	0
Histiocytosis, Langerhans-Cell A group of disorders resulting from the abnormal proliferation of and tissue infiltration by LANGERHANS CELLS which can be detected by their characteristic Birbeck granules (X bodies), or by monoclonal antibody staining for their surface CD1 ANTIGENS. Langerhans-cell granulomatosis can involve a single organ, or can be a systemic disorder.	0	1.94	1	0
alpha-Galactosidase A Deficiency [description not available]	0	1.94	1	0
Classic Globoid Cell Leukodystrophy [description not available]	0	1.94	1	0
Fabry Disease An X-linked inherited metabolic disease caused by a deficiency of lysosomal ALPHA-GALACTOSIDASE A. It is characterized by intralysosomal accumulation of globotriaosylceramide and other GLYCOSPHINGOLIPIDS in blood vessels throughout the body leading to multi-system complications including renal, cardiac, cerebrovascular, and skin disorders.	0	1.94	1	0
Leukodystrophy, Globoid Cell An autosomal recessive metabolic disorder caused by a deficiency of GALACTOSYLCERAMIDASE leading to intralysosomal accumulation of galactolipids such as GALACTOSYLCERAMIDES and PSYCHOSINE. It is characterized by demyelination associated with large multinucleated globoid cells, predominantly involving the white matter of the central nervous system. The loss of MYELIN disrupts normal conduction of nerve impulses.	0	1.94	1	0
Consciousness, Loss of [description not available]	0	1.94	1	0
Pleural Effusion Presence of fluid in the pleural cavity resulting from excessive transudation or exudation from the pleural surfaces. It is a sign of disease and not a diagnosis in itself.	0	1.94	1	0
Spinal Diseases Diseases involving the SPINE.	0	1.94	1	0
Enteritis Inflammation of any segment of the SMALL INTESTINE.	0	1.94	1	0
Pachymeningitis [description not available]	0	1.94	1	0
Meningitis Inflammation of the coverings of the brain and/or spinal cord, which consist of the PIA MATER; ARACHNOID; and DURA MATER. Infections (viral, bacterial, and fungal) are the most common causes of this condition, but subarachnoid hemorrhage (HEMORRHAGES, SUBARACHNOID), chemical irritation (chemical MENINGITIS), granulomatous conditions, neoplastic conditions (CARCINOMATOUS MENINGITIS), and other inflammatory conditions may produce this syndrome. (From Joynt, Clinical Neurology, 1994, Ch24, p6)	0	1.94	1	0
Coagulation Disorders, Blood [description not available]	0	1.94	1	0
Blood Coagulation Disorders Hemorrhagic and thrombotic disorders that occur as a consequence of abnormalities in blood coagulation due to a variety of factors such as COAGULATION PROTEIN DISORDERS; BLOOD PLATELET DISORDERS; BLOOD PROTEIN DISORDERS or nutritional conditions.	0	1.94	1	0
Keratoderma Blennorrhagicum [description not available]	0	1.94	1	0
Nail Abnormalities [description not available]	0	1.94	1	0
Anhidrotic Ectodermal Dysplasia [description not available]	0	1.94	1	0
Keratosis Any horny growth such as a wart or callus.	0	1.94	1	0
Dental Enamel Hypoplasia An acquired or hereditary condition due to deficiency in the formation of tooth enamel (AMELOGENESIS). It is usually characterized by defective, thin, or malformed DENTAL ENAMEL. Risk factors for enamel hypoplasia include gene mutations, nutritional deficiencies, diseases, and environmental factors.	0	1.94	1	0
Angle's Classification [description not available]	0	1.94	1	0
Oral Manifestations Disorders of the mouth attendant upon non-oral disease or injury.	0	1.94	1	0
Molar, Fourth [description not available]	0	1.94	1	0
Malocclusion Such malposition and contact of the maxillary and mandibular teeth as to interfere with the highest efficiency during the excursive movements of the jaw that are essential for mastication. (Jablonski, Illustrated Dictionary of Dentistry, 1982)	0	1.94	1	0
Bronchitis Inflammation of the large airways in the lung including any part of the BRONCHI, from the PRIMARY BRONCHI to the TERTIARY BRONCHI.	0	1.94	1	0
Erythroblastosis Fetalis [description not available]	0	2.34	2	0
Hemorrhage, Oral [description not available]	0	1.94	1	0
Adult Rickets [description not available]	0	1.94	1	0
Osteomalacia Disorder caused by an interruption of the mineralization of organic bone matrix leading to bone softening, bone pain, and weakness. It is the adult form of rickets resulting from disruption of VITAMIN D; PHOSPHORUS; or CALCIUM homeostasis.	0	1.94	1	0
Lymphangiectasis A transient dilatation of the lymphatic vessels.	0	1.94	1	0
Abdomen, Acute A clinical syndrome with acute abdominal pain that is severe, localized, and rapid in onset. Acute abdomen may be caused by a variety of disorders, injuries, or diseases.	0	1.94	1	0
Aujeszky Disease [description not available]	0	1.94	1	0
Shock, Surgical A type of shock that occurs as a result of a surgical procedure.	0	1.94	1	0
Newcastle Disease An acute febrile, contagious, viral disease of birds caused by an AVULAVIRUS called NEWCASTLE DISEASE VIRUS. It is characterized by respiratory and nervous symptoms in fowl and is transmissible to man causing a severe, but transient conjunctivitis.	0	1.94	1	0
Paranoia [description not available]	0	1.94	1	0
Dysentery, Shiga bacillus [description not available]	0	1.94	1	0
Infections, Nematomorpha [description not available]	0	1.94	1	0
Histomoniasis [description not available]	0	1.94	1	0
Dysentery, Bacillary DYSENTERY caused by gram-negative rod-shaped enteric bacteria (ENTEROBACTERIACEAE), most often by the genus SHIGELLA. Shigella dysentery, Shigellosis, is classified into subgroups according to syndrome severity and the infectious species. Group A: SHIGELLA DYSENTERIAE (severest); Group B: SHIGELLA FLEXNERI; Group C: SHIGELLA BOYDII; and Group D: SHIGELLA SONNEI (mildest).	0	1.94	1	0
Helminthiasis Infestation with parasitic worms of the helminth class.	0	1.94	1	0
Franklin Disease [description not available]	0	1.94	1	0
Addison's Anemia [description not available]	0	1.94	1	0
Craniopharyngioma, Adamantinous [description not available]	0	1.94	1	0
Keratocysts [description not available]	0	1.94	1	0
Dentigerous Cyst Most common follicular odontogenic cyst. Occurs in relation to a partially erupted or unerupted tooth with at least the crown of the tooth to which the cyst is attached protruding into the cystic cavity. May give rise to an ameloblastoma and, in rare instances, undergo malignant transformation.	0	1.94	1	0
Craniopharyngioma A benign pituitary-region neoplasm that originates from Rathke's pouch. The two major histologic and clinical subtypes are adamantinous (or classical) craniopharyngioma and papillary craniopharyngioma. The adamantinous form presents in children and adolescents as an expanding cystic lesion in the pituitary region. The cystic cavity is filled with a black viscous substance and histologically the tumor is composed of adamantinomatous epithelium and areas of calcification and necrosis. Papillary craniopharyngiomas occur in adults, and histologically feature a squamous epithelium with papillations. (From Joynt, Clinical Neurology, 1998, Ch14, p50)	0	1.94	1	0
Central Nervous System Origin Vertigo [description not available]	0	3.33	1	1
Vertigo An illusion of movement, either of the external world revolving around the individual or of the individual revolving in space. Vertigo may be associated with disorders of the inner ear (EAR, INNER); VESTIBULAR NERVE; BRAINSTEM; or CEREBRAL CORTEX. Lesions in the TEMPORAL LOBE and PARIETAL LOBE may be associated with FOCAL SEIZURES that may feature vertigo as an ictal manifestation. (From Adams et al., Principles of Neurology, 6th ed, pp300-1)	0	3.33	1	1
Kidney Tubular Transport, Inborn Error [description not available]	0	2.34	2	0
Idiopathic Hypoparathyroidism A condition of low or absent PTH level and HYPOCALCEMIA. It usually occurs as part of an autoimmune syndrome.	0	1.94	1	0
Hypoparathyroidism A condition caused by a deficiency of PARATHYROID HORMONE (or PTH). It is characterized by HYPOCALCEMIA and hyperphosphatemia. Hypocalcemia leads to TETANY. The acquired form is due to removal or injuries to the PARATHYROID GLANDS. The congenital form is due to mutations of genes, such as TBX1; (see DIGEORGE SYNDROME); CASR encoding CALCIUM-SENSING RECEPTOR; or PTH encoding parathyroid hormone.	0	1.94	1	0
Acquired Language Disorders [description not available]	0	1.94	1	0
Language Disorders Conditions characterized by deficiencies of comprehension or expression of written and spoken forms of language. These include acquired and developmental disorders.	0	1.94	1	0
Cancer of the Tongue [description not available]	0	1.94	1	0
Tongue Neoplasms Tumors or cancer of the TONGUE.	0	1.94	1	0
Brachial Paresis [description not available]	0	1.94	1	0
Adenitis [description not available]	0	1.94	1	0
Great Pox [description not available]	0	1.94	1	0
Enuresis Involuntary discharge of URINE after expected age of completed development of urinary control. This can happen during the daytime (DIURNAL ENURESIS) while one is awake or during sleep (NOCTURNAL ENURESIS). Enuresis can be in children or in adults (as persistent primary enuresis and secondary adult-onset enuresis).	0	1.94	1	0
Syphilis A contagious venereal disease caused by the spirochete TREPONEMA PALLIDUM.	0	1.94	1	0
Xerophthalmia Dryness of the eye surfaces caused by deficiency of tears or conjunctival secretions. It may be associated with vitamin A deficiency, trauma, or any condition in which the eyelids do not close completely.	0	1.94	1	0
Goiter Enlargement of the THYROID GLAND that may increase from about 20 grams to hundreds of grams in human adults. Goiter is observed in individuals with normal thyroid function (euthyroidism), thyroid deficiency (HYPOTHYROIDISM), or hormone overproduction (HYPERTHYROIDISM). Goiter may be congenital or acquired, sporadic or endemic (GOITER, ENDEMIC).	0	1.94	1	0
Ulcer A lesion on the surface of the skin or a mucous surface, produced by the sloughing of inflammatory necrotic tissue.	0	2.45	2	0

phenylalanine

Description

Cross-References

Synonyms (384)

Research Excerpts

Toxicity

Pharmacokinetics

Compound-Compound Interactions

Bioavailability

Dosage Studied

Occurs in Manufacturing (119 Items)

Roles (10)

Drug Classes (9)

Pathways (29)

Protein Targets (57)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (142)

Molecular Functions (46)

Ceullar Components (43)

Bioassays (322)

Research

Studies (22,889)

Market Indicators

Research Demand Index: 99.53

Study Types