beta-alanine profile

beta-alanine is involved in 29 pathway(s), involving a total of 469 unique proteins and 1617 unique compounds

ID Source	ID
PubMed CID	239
CHEMBL ID	297569
CHEBI ID	16958
MeSH ID	M0023212

Synonym
aminopropionic acid
propanoic acid, amino-
gtpl2365
.beta.-aminopropionic acid
nsc7603 ,
abufene
alanine, beta
propanoic acid, 3-amino-
3-aminopropanoic acid
.beta.-alanine
nsc-7603
beta-aminopropionic acid
h-beta-ala-oh
omega-aminopropionic acid
CHEBI:16958 ,
h2nch2ch2cooh
tocris-0206
NCGC00024495-01
D07561
abufene (tn)
OPREA1_583450
PDSP2_000143
inchi=1/c3h7no2/c4-2-1-3(5)6/h1-2,4h2,(h,5,6
beta-alanine (6ci,8ci,9ci)
beta-ala
ai3-18470
beta-aminopropionsaeure
fema no. 3252
alanine, beta-
2-carboxyethylamine
3-aminopropionsaeure
STK301638
107-95-9
3-aminopropanoate
B-ALANINE ,
beta-alanine ,
C00099
3-aminopropionic acid
beta alanine
beta-alanine, bioreagent, suitable for cell culture, suitable for insect cell culture
beta-alanine, >=98%, fg
DB03107
beta-alanine, 99%
NCGC00024495-02
nsc 7603
einecs 203-536-5
PDSP1_000144
7CA041EF-5103-439A-9D84-1761529BA8DA
A0180
3-amino-propionic acid
CHEMBL297569 ,
BMSE000159
alanine-beta
3-aminopropanoic acidbeta-alanine
bdbm50000102
AKOS000119659
ec 203-536-5
unii-11p2jde17b
11p2jde17b ,
beta-alaine
BMSE000967
BMSE001019
a-ala
BP-10083
FT-0622549
AM20080020
beta alanine [usp-rs]
beta-alanine [vandf]
alanine, .beta.-
pamidronate disodium pentahydrate impurity a [ep impurity]
beta-alanine [who-dd]
beta-alanine [inci]
.beta.-alanine [fhfi]
.beta.-alanine [mi]
S5526
3-aminopropionic acid-15n
beta-alanin
beta- alanine
beta--alanine
Q-200704
87867-95-6
beta-alanine #
.omega.-aminopropionic acid
?-alanine
beta-alanine;
b-alanine-2,2,3,3-d4
DTXSID0030823
mfcd00008200
Z57127544
F2191-0213
SR-01000597690-1
sr-01000597690
beta-alanine, bioultra, >=99.0% (nt)
beta-alanine, bioxtra, >=99.0% (nt)
beta-alanine, analytical standard
beta-alanine, united states pharmacopeia (usp) reference standard
beta alanine, pharmaceutical secondary standard; certified reference material
beta alanine; pamidronate disodium pentahydrate imp. a (ep); pamidronate imp. a (ep); calcium pantothenate impurity a; pamidronate disodium pentahydrate impurity a; pamidronate impurity a
3-aminopropanoic acid (beta-alanine)
b-ala
3-aminopropionate
beta-aminopropanoate
b-aminopropionic acid
b-aminopropionate
beta-aminopropionate
3-amino-propanoate
b-aminopropanoate
3-amino-propanoic acid
b-aminopropanoic acid
omega-aminopropionate
beta-aminopropanoic acid
HY-N0230
CS-W020126
FT-0773034
Q310919
beta-alanine-13c3-15n
h-\|a-ala-oh
BBL037332
STR03358
25513-34-2
EN300-18046
F86478
beta -alanine

Excerpt	Reference
Beta-alanine is a limiting precursor of carnosine and is among the most used sports supplements for improving athletic performance.	( Bastlova, P; Cesak, O; Student, V; Vidlar, A; Vostalova, J, 2023)
Beta-alanine (BA) is a popular ergogenic supplement because it can induce muscle carnosine loading.	( Achten, E; Bex, T; Blancquaert, L; Calders, P; Derave, W; Everaert, I; Stegen, S; Taes, Y, 2013)
Beta-alanine (BA) is a non-essential amino acid that can be synthesized in the liver and obtained from diet, particularly from white and red meat.	( Berti Zanella, P; Donner Alves, F; Guerini de Souza, C, 2017)
Beta-alanine is an intermediate in the reductive degradation of uracil.	( Andersen, G; Dobritzsch, D; Piskur, J; Schnackerz, KD, 2008)
Beta-alanine (β-ALA) is a non-essential amino acid.	( Cooke, M; Culbertson, JY; Greenwood, M; Kreider, RB, 2010)
beta-Alanine is a central-nervous-system depressant.	( Davies, E; Pueschel, S; Scriver, CR, 1966)
beta-Alanine is a relatively potent inhibitor of GAT-3 GABA transport, with a K(i) value of 34 microM.	( Amara, SG; Clark, JA, 1994)

Excerpt	Reference
Beta-alanine has become a dietary supplement widely used by athletes due to its ergogenic effect.	( Brandao, CF; Ferreira, FC; Franco, GS; Nonino, CB; Noronha, NY; Oliveira, BA; Papoti, M; Pinto, AP, 2021)
beta-Alanine has 5 recognized receptor sites: glycine co-agonist site on the NMDA complex (strychnine-insensitive); glycine receptor site (strychnine sensitive); GABA-A receptor; GABA-C receptor; and blockade of GAT protein-mediated glial GABA uptake.	( Barnes, S; Stevens, K; Tiedje, KE; Weaver, DF, 2010)

Excerpt	Reference
beta-Alanine can activate the glycine receptor, a major inhibitory receptor in the mammalian central nervous system; the 2-methoxy-5-nitrophenyl derivative of beta-alanine combined with a laser-pulse photolysis method makes it possible to investigate the chemical kinetic mechanism of the receptor in the 3-microseconds time domain.	( Carpenter, BK; Hess, GP; Niu, L; Ramesh, D; Wieboldt, R, 1996)
The beta-alanine increase in [3H]flunitrazepam binding was completely inhibited by 10 microM strychnine, whereas the GABA increase required 0.1 mM strychnine to be fully suppressed.	( Córdoba, C; Fernández, I; Orensanz, LM, 1990)
beta-Alanine was shown to inhibit taurine uptake in neurons and astrocytes, also in a competitive manner, with Ki values of 72 microM in neurons and 71 microM in astrocytes.	( Allen, IC; Griffiths, R; Larsson, OM; Schousboe, A, 1986)

Excerpt	Reference
This beta-alanine treatment to dams increased beta-alanine concentration, but did not decrease taurine concentrations in milk, and serum taurine concentration in the pups receiving this milk was elevated.	( Hu, JM; Nishihara, M; Rho, JY; Suzuki, M; Takahashi, M, 2000)
In beta-alanine pretreated rats, the increase in the bile flow in the first hr was more rapid compared to control rats, and the bile flow rate reached a peak earlier.	( Kanai, S; Kitani, K, 1985)
Oral treatment with beta-alanine had fewer obvious side effects than injections, but all treated rats had body weights less than age-matched controls.	( De Marte, L; Lake, N, 1988)

Role	Description
neurotransmitter	An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.
inhibitor	A substance that diminishes the rate of a chemical reaction.
agonist	Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own.
human metabolite	Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
fundamental metabolite	Any metabolite produced by all living cells.
[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
beta-amino acid	A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position beta to the carboxy group.
amino acid zwitterion	The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged 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
Histidine, lysine, phenylalanine, tyrosine, proline and tryptophan catabolism	44	85
Histidine Metabolism	17	35
Pyrimidine Metabolism	23	53
Aspartate Metabolism	14	30
beta-Alanine Metabolism	9	27
Propanoate Metabolism	18	37
Canavan Disease	14	30
Hypoacetylaspartia	14	30
GABA-Transaminase Deficiency	9	27
Histidinemia	17	35
beta-Ureidopropionase Deficiency	23	53
UMP Synthase Deficiency (Orotic Aciduria)	23	53
Dihydropyrimidinase Deficiency	23	53
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)	23	53
Malonic Aciduria	18	37
Methylmalonic Aciduria Due to Cobalamin-Related Disorders	18	37
Ureidopropionase Deficiency	9	27
Carnosinuria, Carnosinemia	9	27
Malonyl-CoA Decarboxylase Deficiency	18	37
Alanine,Aspartic acid and Asparagine metabolism ( Alanine,Aspartic acid and Asparagine metabolism )	22	37
2-Oxo-glutaric acid + beta-Alanine = L-Glutamic acid + Malonate semialdehyde ( Pyrimidine Nucleotides and Nucleosides metabolism )	1	4
Histidine degradation ( Histidine degradation )	23	26
Pyrimidine Nucleotides and Nucleosides metabolism ( Pyrimidine Nucleotides and Nucleosides metabolism )	45	49
Leucine, isoleucine and valine metabolism	24	70
Carnosine metabolism of glial cells	0	9
AtMetExpress overview	0	109
Alanine and aspartate metabolism	0	15
Biochemical pathways: part I	0	466
Pyrimidine metabolism	0	38
GABA metabolism (aka GHB)	11	28

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
regulator of G-protein signaling 4	Homo sapiens (human)	Potency	2.9935	0.5318	15.4358	37.6858	AID504845
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	12.5893	0.0200	10.7869	31.6228	AID912
[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)
Cytochrome P450 3A4	Homo sapiens (human)	IC50 (µMol)	2,818.3799	0.0001	1.7536	10.0000	AID759056
Sodium- and chloride-dependent GABA transporter 1	Mus musculus (house mouse)	IC50 (µMol)	2,779.9966	0.0371	2.1922	8.5114	AID1736174; AID595473; AID759056
Sodium- and chloride-dependent GABA transporter 2	Mus musculus (house mouse)	IC50 (µMol)	378.8895	1.4125	5.2683	8.1283	AID1736175; AID1736176; AID595474; AID759053
Sodium- and chloride-dependent GABA transporter 3	Mus musculus (house mouse)	IC50 (µMol)	55.3998	1.5488	3.6761	8.1283	AID1736177; AID595475; AID759054
Sodium- and chloride-dependent betaine transporter	Mus musculus (house mouse)	IC50 (µMol)	331.1310	0.1800	3.1880	10.0000	AID759055
Glutamate receptor ionotropic, NMDA 1	Rattus norvegicus (Norway rat)	IC50 (µMol)	11.6000	0.0007	1.6003	10.0000	AID143615
Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)	IC50 (µMol)	41.2000	1.0000	4.1331	8.9200	AID1188932; AID764976
Glutamate receptor ionotropic, NMDA 2A	Rattus norvegicus (Norway rat)	IC50 (µMol)	11.6000	0.0007	1.6306	10.0000	AID143615
Glutamate receptor ionotropic, NMDA 2B	Rattus norvegicus (Norway rat)	IC50 (µMol)	11.6000	0.0006	1.5257	10.0000	AID143615
Glutamate receptor ionotropic, NMDA 2C	Rattus norvegicus (Norway rat)	IC50 (µMol)	11.6000	0.0007	1.7472	10.0000	AID143615
Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)	IC50 (µMol)	11.6000	0.0007	1.7411	10.0000	AID143615
Glutamate receptor ionotropic, NMDA 3B	Rattus norvegicus (Norway rat)	IC50 (µMol)	11.6000	0.0007	1.7411	10.0000	AID143615
Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)	IC50 (µMol)	154.5000	6.2000	6.2000	6.2000	AID1188931; AID764977
Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)	IC50 (µMol)	11.6000	0.0007	1.7411	10.0000	AID143615
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
lipid hydroxylation	Cytochrome P450 3A4	Homo sapiens (human)
lipid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
androgen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
alkaloid catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
calcitriol biosynthetic process from calciol	Cytochrome P450 3A4	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D catabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 3A4	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 3A4	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 3A4	Homo sapiens (human)
amino acid transmembrane transport	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
response to xenobiotic stimulus	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
monocarboxylic acid transport	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
taurine transmembrane transport	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
gamma-aminobutyric acid reuptake	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
sodium ion transmembrane transport	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
amino acid transport	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
monoatomic ion transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
amino acid transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
taurine transmembrane transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
proline transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
alanine transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
amino acid import across plasma membrane	Proton-coupled amino acid transporter 1	Homo sapiens (human)
glycine transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
proline transmembrane transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
proton transmembrane transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
L-alanine transport	Proton-coupled amino acid transporter 1	Homo sapiens (human)
nitrogen compound transport	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
monocarboxylic acid transport	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
taurine transmembrane transport	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
creatine transmembrane transport	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
gamma-aminobutyric acid reuptake	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
gamma-aminobutyric acid import	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
nitrogen compound transport	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
amino acid import across plasma membrane	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
transport across blood-brain barrier	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
amino acid transport	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
sodium ion transmembrane transport	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
steroid binding	Cytochrome P450 3A4	Homo sapiens (human)
iron ion binding	Cytochrome P450 3A4	Homo sapiens (human)
protein binding	Cytochrome P450 3A4	Homo sapiens (human)
steroid hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
retinoic acid 4-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 3A4	Homo sapiens (human)
oxygen binding	Cytochrome P450 3A4	Homo sapiens (human)
enzyme binding	Cytochrome P450 3A4	Homo sapiens (human)
heme binding	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D3 25-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
quinine 3-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
testosterone 6-beta-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1-alpha,25-dihydroxyvitamin D3 23-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 8,9 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 11,12 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
anandamide 14,15 epoxidase activity	Cytochrome P450 3A4	Homo sapiens (human)
aromatase activity	Cytochrome P450 3A4	Homo sapiens (human)
vitamin D 24-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 3A4	Homo sapiens (human)
1,8-cineole 2-exo-monooxygenase activity	Cytochrome P450 3A4	Homo sapiens (human)
gamma-aminobutyric acid:sodium:chloride symporter activity	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
taurine:sodium symporter activity	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
monocarboxylic acid transmembrane transporter activity	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
amino acid binding	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
amino acid:proton symporter activity	Proton-coupled amino acid transporter 1	Homo sapiens (human)
proline:proton symporter activity	Proton-coupled amino acid transporter 1	Homo sapiens (human)
taurine transmembrane transporter activity	Proton-coupled amino acid transporter 1	Homo sapiens (human)
protein binding	Proton-coupled amino acid transporter 1	Homo sapiens (human)
amino acid transmembrane transporter activity	Proton-coupled amino acid transporter 1	Homo sapiens (human)
alanine transmembrane transporter activity	Proton-coupled amino acid transporter 1	Homo sapiens (human)
L-alanine transmembrane transporter activity	Proton-coupled amino acid transporter 1	Homo sapiens (human)
L-proline transmembrane transporter activity	Proton-coupled amino acid transporter 1	Homo sapiens (human)
glycine transmembrane transporter activity	Proton-coupled amino acid transporter 1	Homo sapiens (human)
amino acid:sodium symporter activity	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
creatine transmembrane transporter activity	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
gamma-aminobutyric acid:sodium:chloride symporter activity	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
taurine transmembrane transporter activity	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
taurine:sodium symporter activity	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
monocarboxylic acid transmembrane transporter activity	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
amino acid transmembrane transporter activity	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
gamma-aminobutyric acid transmembrane transporter activity	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytoplasm	Cytochrome P450 3A4	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 3A4	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 3A4	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)
plasma membrane	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
membrane	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
presynaptic membrane	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
postsynaptic membrane	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
GABA-ergic synapse	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
plasma membrane	Sodium- and chloride-dependent GABA transporter 3	Homo sapiens (human)
cell projection	Sodium- and chloride-dependent GABA transporter 3	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)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 2D	Rattus norvegicus (Norway rat)
lysosomal membrane	Proton-coupled amino acid transporter 1	Homo sapiens (human)
endoplasmic reticulum	Proton-coupled amino acid transporter 1	Homo sapiens (human)
plasma membrane	Proton-coupled amino acid transporter 1	Homo sapiens (human)
apical plasma membrane	Proton-coupled amino acid transporter 1	Homo sapiens (human)
vacuolar membrane	Proton-coupled amino acid transporter 1	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)
plasma membrane	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
basolateral plasma membrane	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
extracellular exosome	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
presynapse	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
plasma membrane	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
cell projection	Sodium- and chloride-dependent GABA transporter 2	Homo sapiens (human)
endoplasmic reticulum membrane	Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)
plasma membrane	Glutamate receptor ionotropic, NMDA 3A	Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
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.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID255583	Percent inhibition of CD40 expression in BCL1 cells treated with 10 uM peptide nucleic acid (PNA)conjugate; n=3	2005	Journal of medicinal chemistry, Oct-20, Volume: 48, Issue:21	Structure-activity relationship study on a simple cationic peptide motif for cellular delivery of antisense peptide nucleic acid.
AID198302	Cleavage rate against hairpin ribozyme at 5 mM with 0.5 uM magnesium ions	2001	Bioorganic & medicinal chemistry letters, Dec-03, Volume: 11, Issue:23	Novel spermine-amino acid conjugates and basic tripeptides enhance cleavage of the hairpin ribozyme at low magnesium ion concentration.
AID1188931	Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis	2014	ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8	Conformationally Restricted GABA with Bicyclo[3.1.0]hexane Backbone as the First Highly Selective BGT-1 Inhibitor.
AID595474	Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors.
AID1188932	Inhibition of human GAT3 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis	2014	ACS medicinal chemistry letters, Aug-14, Volume: 5, Issue:8	Conformationally Restricted GABA with Bicyclo[3.1.0]hexane Backbone as the First Highly Selective BGT-1 Inhibitor.
AID759053	Inhibition of GABA uptake at murine GAT-2 expressed in HEK293 cells	2013	European journal of medicinal chemistry, Jul, Volume: 65	Synthesis of N-substituted acyclic β-amino acids and their investigation as GABA uptake inhibitors.
AID759054	Inhibition of GABA uptake at murine GAT-3 expressed in HEK293 cells	2013	European journal of medicinal chemistry, Jul, Volume: 65	Synthesis of N-substituted acyclic β-amino acids and their investigation as GABA uptake inhibitors.
AID603205	Binding affinity to Mycobacterium tuberculosis pantothenate synthetase assessed as alpha-helix structural changes by crystal structure analysis (Rvb = 41.3 %%)	2011	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 21, Issue:13	A discovery of novel Mycobacterium tuberculosis pantothenate synthetase inhibitors based on the molecular mechanism of actinomycin D inhibition.
AID630741	Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting	2011	Bioorganic & medicinal chemistry, Nov-01, Volume: 19, Issue:21	Three-dimensional quantitative structure-activity relationship analyses of substrates of the human proton-coupled amino acid transporter 1 (hPAT1).
AID759056	Inhibition of GABA uptake at murine GAT-1 expressed in HEK293 cells	2013	European journal of medicinal chemistry, Jul, Volume: 65	Synthesis of N-substituted acyclic β-amino acids and their investigation as GABA uptake inhibitors.
AID603206	Binding affinity to Mycobacterium tuberculosis pantothenate synthetase assessed as beta-sheet structural changes by crystal structure analysis (Rvb = 21.3 %%)	2011	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 21, Issue:13	A discovery of novel Mycobacterium tuberculosis pantothenate synthetase inhibitors based on the molecular mechanism of actinomycin D inhibition.
AID255581	Percent inhibition of CD40 expression in BCL1 cells treated with 3 uM peptide nucleic acid (PNA)conjugate; n=3	2005	Journal of medicinal chemistry, Oct-20, Volume: 48, Issue:21	Structure-activity relationship study on a simple cationic peptide motif for cellular delivery of antisense peptide nucleic acid.
AID1736176	Inhibition of mouse GTA 3 receptor	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	Novel mouse GABA uptake inhibitors with enhanced inhibitory activity toward mGAT3/4 and their effect on pain threshold in mice.
AID143615	Inhibitory concentration required to inhibit [3H]strychnine binding to N-methyl-D-aspartate glutamate receptor 1 of rat spinal cord membranes.	1992	Journal of medicinal chemistry, Jan-24, Volume: 35, Issue:2	Beta-proline analogues as agonists at the strychnine-sensitive glycine receptor.
AID595475	Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in human HEK cells	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors.
AID1736174	Inhibition of mouse GTA 1 receptor	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	Novel mouse GABA uptake inhibitors with enhanced inhibitory activity toward mGAT3/4 and their effect on pain threshold in mice.
AID595476	Inhibition of mouse GAT4-mediated [3H]GABA uptake expressed in human HEK cells	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors.
AID603203	Binding affinity to Mycobacterium tuberculosis pantothenate synthetase assessed as alpha-helix structural changes by circular dichroism spectra analysis (Rvb = 47.93 %%)	2011	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 21, Issue:13	A discovery of novel Mycobacterium tuberculosis pantothenate synthetase inhibitors based on the molecular mechanism of actinomycin D inhibition.
AID255579	Percent inhibition of CD40 expression in BCL1 cells treated with 1 uM peptide nucleic acid (PNA)conjugate; n=3	2005	Journal of medicinal chemistry, Oct-20, Volume: 48, Issue:21	Structure-activity relationship study on a simple cationic peptide motif for cellular delivery of antisense peptide nucleic acid.
AID764977	Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis	2013	Bioorganic & medicinal chemistry, Sep-01, Volume: 21, Issue:17	Cyclopropane-based conformational restriction of GABA by a stereochemical diversity-oriented strategy: identification of an efficient lead for potent inhibitors of GABA transports.
AID759055	Inhibition of GABA uptake at murine BGT-1 expressed in HEK293 cells	2013	European journal of medicinal chemistry, Jul, Volume: 65	Synthesis of N-substituted acyclic β-amino acids and their investigation as GABA uptake inhibitors.
AID603204	Binding affinity to Mycobacterium tuberculosis pantothenate synthetase assessed as beta-sheet structural changes by circular dichroism spectra analysis (Rvb = 8.19 %%)	2011	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 21, Issue:13	A discovery of novel Mycobacterium tuberculosis pantothenate synthetase inhibitors based on the molecular mechanism of actinomycin D inhibition.
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.
AID764976	Inhibition of human GAT3 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysis	2013	Bioorganic & medicinal chemistry, Sep-01, Volume: 21, Issue:17	Cyclopropane-based conformational restriction of GABA by a stereochemical diversity-oriented strategy: identification of an efficient lead for potent inhibitors of GABA transports.
AID51035	Concentration required for obtaining 50% of the fluorescence intensity of copper-free calcein 1, in bovine serum albumin at 10 mM concentration	2003	Bioorganic & medicinal chemistry letters, May-19, Volume: 13, Issue:10	A green fluorescent chemosensor for amino acids provides a versatile high-throughput screening (HTS) assay for proteases.
AID198301	Cleavage rate against hairpin ribozyme at 2 mM, in presence of 0.5 uM magnesium ions	2001	Bioorganic & medicinal chemistry letters, Dec-03, Volume: 11, Issue:23	Novel spermine-amino acid conjugates and basic tripeptides enhance cleavage of the hairpin ribozyme at low magnesium ion concentration.
AID1736177	Inhibition of mouse GTA4 receptor	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	Novel mouse GABA uptake inhibitors with enhanced inhibitory activity toward mGAT3/4 and their effect on pain threshold in mice.
AID595473	Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cells	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors.
AID781327	pKa (acid-base dissociation constant) as determined by Morgenthaler ref: ChemMedChem 2007	2014	Pharmaceutical research, Apr, Volume: 31, Issue:4	Comparison of the accuracy of experimental and predicted pKa values of basic and acidic compounds.
AID1736175	Inhibition of mouse GTA 2 receptor	2020	European journal of medicinal chemistry, Feb-15, Volume: 188	Novel mouse GABA uptake inhibitors with enhanced inhibitory activity toward mGAT3/4 and their effect on pain threshold in mice.
AID603208	Binding affinity to Mycobacterium tuberculosis pantothenate synthetase by tryptophan fluorescence quenching assay	2011	Bioorganic & medicinal chemistry letters, Jul-01, Volume: 21, Issue:13	A discovery of novel Mycobacterium tuberculosis pantothenate synthetase inhibitors based on the molecular mechanism of actinomycin D inhibition.
AID1345380	Human MRGPRD (Class A Orphans)	2004	The Journal of biological chemistry, May-28, Volume: 279, Issue:22	Identification of a G protein-coupled receptor specifically responsive to beta-alanine.
AID1345380	Human MRGPRD (Class A Orphans)	2013	Journal of biomolecular screening, Jun, Volume: 18, Issue:5	Screening β-arrestin recruitment for the identification of natural ligands for orphan G-protein-coupled receptors.
AID1345376	Rat MRGPRD (Class A Orphans)	2004	The Journal of biological chemistry, May-28, Volume: 279, Issue:22	Identification of a G protein-coupled receptor specifically responsive to beta-alanine.
AID1345371	Mouse MRGPRD (Class A Orphans)	2004	The Journal of biological chemistry, May-28, Volume: 279, Issue:22	Identification of a G protein-coupled receptor specifically responsive to beta-alanine.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	354 (11.52)	18.7374
1990's	392 (12.76)	18.2507
2000's	451 (14.68)	29.6817
2010's	1656 (53.89)	24.3611
2020's	220 (7.16)	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	207 (6.52%)	5.53%
Reviews	458 (14.42%)	6.00%
Case Studies	220 (6.92%)	4.05%
Observational	15 (0.47%)	0.25%
Other	2,277 (71.67%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
glycine	[no description available]	high	146	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
4-piperidinecarboxylic acid	[no description available]	medium	2	0
alanine	[no description available]	high	285	1	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
alanine	[no description available]	high	285	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
D-proline	[no description available]	medium	2	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; proline	mouse metabolite
arecaidine	[no description available]	medium	2	0	citraconoyl group
D-alanine	[no description available]	medium	2	0	alanine zwitterion; alanine; D-alpha-amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite
3,4-dehydroproline	[no description available]	medium	1	0
pyrrole-3-carboxylic acid	[no description available]	medium	1	0	pyrrolecarboxylic acid	metabolite; Penicillium metabolite
proline	[no description available]	high	37	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
gamma-aminobutyric acid	[no description available]	high	184	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
gamma-aminobutyric acid	[no description available]	high	184	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
spermine	[no description available]	high	4	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
lysine	[no description available]	high	19	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
histidine	[no description available]	high	48	3	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
histidine	[no description available]	high	48	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
arginine	[no description available]	medium	26	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
arginine	[no description available]	medium	26	1	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
copper histidine	[no description available]	medium	1	0	D-alpha-amino acid; histidine; polar amino acid zwitterion	Saccharomyces cerevisiae metabolite
pyruvic acid	[no description available]	high	6	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
levodopa	[no description available]	high	6	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	[no description available]	high	16	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	[no description available]	high	36	1	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
leucine	[no description available]	high	36	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	[no description available]	medium	8	0	2,2-dialkylglycine zwitterion; 2,2-dialkylglycine
phenylalanine	[no description available]	high	26	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
tryptophan	[no description available]	high	12	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
glutamic acid	[no description available]	high	53	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
d-lactic acid	[no description available]	medium	2	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
n-acetyltyrosine	[no description available]	medium	1	0	N-acetyltyrosine; N-acyl-L-tyrosine	biomarker; EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor; human urinary metabolite
tyrosine methyl ester	[no description available]	medium	1	0	L-tyrosyl ester; methyl ester
phenylalanine	[no description available]	medium	1	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; phenylalanine
2-(methylamino)isobutyric acid	[no description available]	medium	5	0	alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound	human urinary metabolite
methyl tryptophan, (l-trp)-isomer	[no description available]	medium	1	0
abrine	[no description available]	medium	1	0	L-tryptophan derivative; N-methyl-L-alpha-amino acid zwitterion; N-methyl-L-alpha-amino acid	Escherichia coli metabolite
n-acetyltryptophan	[no description available]	medium	1	0	L-tryptophan derivative; N-acetyl-L-amino acid	metabolite
phenylalanine methyl ester	[no description available]	medium	1	0	alpha-amino acid ester; L-phenylalanine derivative
alanine	[no description available]	high	1	0	alpha-amino acid; amino acid zwitterion	fundamental metabolite
cysteine	[no description available]	medium	2	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
serine	[no description available]	high	36	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
edetic acid	[no description available]	medium	3	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
methionine	[no description available]	high	13	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
valine	[no description available]	high	18	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
leucinamide	[no description available]	medium	1	0
aminocaproic acid	[no description available]	high	12	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
omega-aminocaprylic acid	[no description available]	medium	1	0	medium-chain fatty acid; omega-amino fatty acid	human metabolite
12-aminododecanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; omega-amino fatty acid	bacterial metabolite
5-aminovaleric acid	[no description available]	high	4	0	amino acid zwitterion; delta-amino acid; omega-amino fatty acid	human metabolite
omega-aminoenantic acid	[no description available]	medium	1	0	medium-chain fatty acid
5-imidazolepropionic acid	[no description available]	medium	1	0	imidazoles; monocarboxylic acid
imidazoleacetic acid	[no description available]	medium	2	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
5-benzimidazolecarboxylic acid	[no description available]	medium	1	0
imidazol-1-ylacetic acid	[no description available]	medium	1	0	imidazolyl carboxylic acid	metabolite
urocanic acid	[no description available]	medium	1	0	urocanic acid	human metabolite
3-(1H-imidazol-1-yl)propanoic acid	[no description available]	medium	1	0	imidazolyl carboxylic acid	human urinary metabolite
snap 5114	[no description available]	medium	5	0
alpha,beta-methyleneadenosine 5'-triphosphate	[no description available]	medium	2	0	nucleoside triphosphate analogue
nafronyloxalate	[no description available]	medium	1	0
pantoic acid	[no description available]	medium	4	0	pantoic acid
dactinomycin	[no description available]	medium	5	0	actinomycin	mutagen
betaine	[no description available]	high	10	0	amino-acid betaine; glycine derivative	fundamental metabolite
creatine	[no description available]	high	20	7	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
creatine	[no description available]	high	20	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
glycocyamine	[no description available]	medium	2	0	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
picolinic acid	[no description available]	medium	2	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
sarcosine	[no description available]	high	6	0	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
taurine	[no description available]	high	247	1	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
taurine	[no description available]	high	247	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
tramiprosate	[no description available]	medium	6	0	amino sulfonic acid; zwitterion	algal metabolite; anti-inflammatory agent; anticonvulsant; GABA agonist; nootropic agent
isoguvacine	[no description available]	medium	5	0	tetrahydropyridine
hydroxyproline	[no description available]	high	3	1	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
hydroxyproline	[no description available]	high	3	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
cycloserine	[no description available]	medium	11	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
isoleucine	[no description available]	high	6	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
3-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid
piperidine	[no description available]	medium	3	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
4-hydroxybutyric acid	[no description available]	medium	1	0	4-hydroxy monocarboxylic acid; hydroxybutyric acid	general anaesthetic; GHB receptor agonist; neurotoxin; sedative
thiazolidines	[no description available]	medium	4	0	thiazolidine
azetidyl-2-carboxylic acid	[no description available]	medium	1	0	azetidine-2-carboxylic acid
pyrrolidine	[no description available]	medium	2	0	azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent
norvaline	[no description available]	medium	1	0	2-aminopentanoic acid; L-alpha-amino acid zwitterion	bacterial metabolite; hypoglycemic agent; neuroprotective agent
guanidinopropionic acid	[no description available]	medium	4	0	guanidines; zwitterion	hypoglycemic agent
D-serine	[no description available]	medium	1	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
D-valine	[no description available]	medium	1	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; valine
thiazolidine-4-carboxylic acid, (r)-isomer	[no description available]	medium	1	0	thiazolidinemonocarboxylic acid; thioproline	geroprotector; metabolite
L-cycloserine	[no description available]	medium	1	0	4-amino-1,2-oxazolidin-3-one	anti-HIV agent; anticonvulsant; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
prolinol	[no description available]	medium	1	0
n-methylalanine	[no description available]	medium	2	0	amino acid zwitterion; methyl-L-alanine
alpha-ketoglutaric acid	[no description available]	medium	1	0	oxo dicarboxylic acid	fundamental metabolite
succinic acid	[no description available]	high	4	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
decanoic acid	[no description available]	medium	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
kynurenic acid	[no description available]	high	3	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
l-lactic acid	[no description available]	medium	2	0	(2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
n-oleoylethanolamine	[no description available]	medium	1	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
lysophosphatidic acid	[no description available]	medium	1	0
tan 67	[no description available]	medium	1	0	quinolines
prosomatostatin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	fungal metabolite; mouse metabolite; rat metabolite
bam 22p	[no description available]	medium	1	0
lysophosphatidylinositol	[no description available]	medium	1	0
nipecotic acid	[no description available]	medium	14	0	beta-amino acid; piperidinemonocarboxylic acid
3-aminobutyric acid	[no description available]	medium	2	0	amino acid zwitterion; beta-amino acid; monocarboxylic acid	metabolite
n-(4,4-diphenyl-3-butenyl)nipecotic acid	[no description available]	medium	4	0	diarylmethane
nipecotic acid	[no description available]	medium	2	0	amino acid zwitterion; nipecotic acid
nipecotic acid, (s)-isomer	[no description available]	medium	2	0	nipecotic acid
baclofen	[no description available]	high	8	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
muscimol	[no description available]	medium	13	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
tiagabine hydrochloride	[no description available]	medium	1	0	hydrochloride	anticonvulsant; GABA reuptake inhibitor
nnc 05-2090	[no description available]	medium	2	0	carbazoles
acetic acid	[no description available]	medium	6	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
benzoic acid	[no description available]	medium	3	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
formic acid	[no description available]	medium	2	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
salicylic acid	[no description available]	medium	2	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
gallic acid	[no description available]	medium	1	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
bupropion	[no description available]	medium	1	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
histamine	[no description available]	high	19	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
dihydroxyphenylalanine	[no description available]	high	3	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
niacin	[no description available]	medium	1	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
4-aminobenzoic acid	[no description available]	medium	3	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
propionic acid	[no description available]	medium	6	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pyridoxamine	[no description available]	high	3	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
trimethylamine	[no description available]	medium	2	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
tryptophan	[no description available]	medium	1	0	alpha-amino acid; amino acid zwitterion; aminoalkylindole; aromatic amino acid; polar amino acid	Daphnia magna metabolite
2,4-dichlorophenoxyacetic acid	[no description available]	medium	1	0	chlorophenoxyacetic acid; dichlorobenzene	agrochemical; defoliant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; environmental contaminant; phenoxy herbicide; synthetic auxin
tacrine	[no description available]	medium	1	0	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol	[no description available]	medium	1	0	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent
alprenolol	[no description available]	medium	1	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amantadine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
amiodarone	[no description available]	medium	13	0	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
dan 2163	[no description available]	medium	1	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amitriptyline	[no description available]	medium	1	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
amlodipine	[no description available]	medium	1	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
amoxapine	[no description available]	medium	1	0	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
arecoline	[no description available]	medium	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
aspirin	[no description available]	medium	41	0	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
aspirin	[no description available]	medium	41	3	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	[no description available]	medium	1	0	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azelastine	[no description available]	medium	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
betaxolol	[no description available]	medium	1	0	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bisoprolol	[no description available]	medium	1	0	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
bumetanide	[no description available]	medium	1	0	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
buspirone	[no description available]	medium	1	0	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist
verapamil	[no description available]	medium	7	0	aromatic ether; nitrile; polyether; tertiary amino compound
carbidopa	[no description available]	medium	1	0	benzenes; monocarboxylic acid
carvedilol	[no description available]	medium	1	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
celiprolol	[no description available]	medium	1	0	aromatic ketone
chlorpheniramine	[no description available]	medium	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine	[no description available]	medium	1	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
cinoxacin	[no description available]	medium	1	0	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent
ciprofloxacin	[no description available]	medium	2	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
citalopram	[no description available]	medium	1	0	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clomipramine	[no description available]	medium	1	0	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
cyclobenzaprine	[no description available]	medium	1	0	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug
desipramine	[no description available]	medium	1	0	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
diclofenac	[no description available]	medium	3	0	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
diflunisal	[no description available]	medium	1	0	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
diphenhydramine	[no description available]	medium	1	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
disopyramide	[no description available]	medium	1	0	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug
domperidone	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
donepezil	[no description available]	medium	1	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
droperidol	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic
dyclonine	[no description available]	medium	1	0	aromatic ketone; piperidines	topical anaesthetic
ethacrynic acid	[no description available]	medium	1	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
fendiline	[no description available]	medium	1	0	diarylmethane
fentanyl	[no description available]	medium	1	0	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
flecainide	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
fleroxacin	[no description available]	medium	2	0	difluorobenzene; fluoroquinolone antibiotic; monocarboxylic acid; N-alkylpiperazine; quinolines	antibacterial drug; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
flufenamic acid	[no description available]	medium	1	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flumequine	[no description available]	medium	1	0	3-oxo monocarboxylic acid; organofluorine compound; pyridoquinoline; quinolone antibiotic
flurbiprofen	[no description available]	medium	1	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluspirilene	[no description available]	medium	1	0	diarylmethane
furosemide	[no description available]	medium	2	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
haloperidol	[no description available]	medium	2	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
ibuprofen	[no description available]	medium	2	0	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
lidocaine	[no description available]	medium	2	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
mephentermine	[no description available]	medium	1	0	amphetamines
imipramine	[no description available]	medium	1	0	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin	[no description available]	medium	4	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
isoproterenol	[no description available]	medium	4	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
ketoprofen	[no description available]	medium	1	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	[no description available]	medium	2	0	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
labetalol	[no description available]	medium	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
lomefloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent
loxapine	[no description available]	medium	1	0	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist
maprotiline	[no description available]	medium	1	0	anthracenes
mefenamic acid	[no description available]	medium	1	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
meperidine	[no description available]	medium	1	0	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
mesoridazine	[no description available]	medium	1	0	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic
methoxyphenamine	[no description available]	medium	1	0	amphetamines	beta-adrenergic agonist; bronchodilator agent
3-Hydroxy-alpha-methyl-DL-tyrosine	[no description available]	medium	1	0	benzenes; monocarboxylic acid
metoclopramide	[no description available]	medium	1	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
metoprolol	[no description available]	medium	1	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
mexiletine	[no description available]	medium	1	0	aromatic ether; primary amino compound	anti-arrhythmia drug
mirtazapine	[no description available]	medium	1	0	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist
nalidixic acid	[no description available]	medium	1	0	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	1	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
norfloxacin	[no description available]	medium	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
nortriptyline	[no description available]	medium	1	0	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite
ofloxacin	[no description available]	medium	1	0	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
oxotremorine	[no description available]	medium	1	0	N-alkylpyrrolidine
oxprenolol	[no description available]	medium	1	0	aromatic ether
aminosalicylic acid	[no description available]	medium	1	0	aminobenzoic acid; phenols	antitubercular agent
periciazine	[no description available]	medium	1	0	hydroxypiperidine; nitrile; phenothiazines	adrenergic antagonist; first generation antipsychotic; sedative
pindolol	[no description available]	medium	1	0	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
primaquine	[no description available]	medium	1	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
probenecid	[no description available]	medium	3	0	benzoic acids; sulfonamide	uricosuric drug
procainamide	[no description available]	medium	1	0	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker
procaine	[no description available]	medium	2	0	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug
promazine	[no description available]	medium	1	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	[no description available]	medium	1	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propafenone	[no description available]	medium	1	0	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug
propranolol	[no description available]	medium	4	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
ranitidine	[no description available]	medium	1	0	aralkylamine
risperidone	[no description available]	medium	1	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
sotalol	[no description available]	medium	1	0	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic
sulfasalazine	[no description available]	medium	1	0
sumatriptan	[no description available]	medium	1	0	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
suprofen	[no description available]	medium	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
gatifloxacin	[no description available]	medium	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
terbutaline	[no description available]	medium	1	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	[no description available]	medium	1	0	diarylmethane
tetracaine	[no description available]	medium	1	0	benzoate ester; tertiary amino compound	local anaesthetic
tolmetin	[no description available]	medium	2	0	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
trazodone	[no description available]	medium	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trimeprazine	[no description available]	medium	1	0	phenothiazines
trimipramine	[no description available]	medium	1	0	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
venlafaxine	[no description available]	medium	1	0	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic
dextroamphetamine	[no description available]	medium	2	0	1-phenylpropan-2-amine	adrenergic agent; adrenergic uptake inhibitor; dopamine uptake inhibitor; dopaminergic agent; neurotoxin; sympathomimetic agent
penicillamine	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
penicillin g	[no description available]	medium	4	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
isonicotinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
aspartic acid	[no description available]	high	53	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
physostigmine	[no description available]	medium	1	0	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
ampicillin	[no description available]	medium	6	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
ampicillin	[no description available]	medium	6	1	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
ethylamine	[no description available]	medium	1	0	primary aliphatic amine	human metabolite
tromethamine	[no description available]	medium	2	0	primary amino compound; triol	buffer
brompheniramine	[no description available]	medium	1	0	organobromine compound; pyridines	anti-allergic agent; H1-receptor antagonist
penicillin v	[no description available]	medium	1	0	penicillin allergen; penicillin
phenylpiperazine	[no description available]	medium	1	0
2-naphthoic acid	[no description available]	medium	1	0	naphthoic acid	mouse metabolite; xenobiotic metabolite
mecoprop	[no description available]	medium	1	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
synephrine	[no description available]	medium	3	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
synephrine	[no description available]	medium	3	2	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
deanol	[no description available]	medium	1	0	ethanolamines; tertiary amine	curing agent; radical scavenger
4-methylmorpholine	[no description available]	medium	1	0
n-butylamine	[no description available]	medium	1	0	primary aliphatic amine
morpholine	[no description available]	medium	1	0	morpholines; saturated organic heteromonocyclic parent	NMR chemical shift reference compound
hexahydroazepine	[no description available]	medium	1	0	azacycloalkane; azepanes; saturated organic heteromonocyclic parent
ergotamine	[no description available]	medium	1	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
n-methylpyrrolidine	[no description available]	medium	1	0
triethylamine	[no description available]	medium	1	0	tertiary amine
meglumine	[no description available]	medium	2	0	hexosamine; secondary amino compound
chloroprocaine	[no description available]	medium	1	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
aziridine	[no description available]	medium	2	0	azacycloalkane; aziridines; saturated organic heteromonocyclic parent	alkylating agent
ephedrine	[no description available]	medium	1	0	phenethylamine alkaloid; phenylethanolamines	bacterial metabolite; environmental contaminant; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic
dibenzepin	[no description available]	medium	1	0	dibenzodiazepine
galantamine	[no description available]	medium	1	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
trifluoroethylamine	[no description available]	medium	1	0
2-fluoroethylamine	[no description available]	medium	1	0
dextropropoxyphene	[no description available]	medium	1	0	1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate	mu-opioid receptor agonist; opioid analgesic
azetidine	[no description available]	medium	1	0	azacycloalkane; azetidines; saturated organic heteromonocyclic parent
gluconic acid	[no description available]	medium	2	0	gluconic acid	chelator; Penicillium metabolite
methamphetamine	[no description available]	medium	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
aminopenicillanic acid	[no description available]	medium	1	0	amino acid zwitterion; penicillanic acids	allergen
glycyl-glycyl-glycine	[no description available]	medium	1	0	tripeptide zwitterion; tripeptide
n,n-dimethylethylamine	[no description available]	medium	1	0
diethylmethylamine	[no description available]	medium	1	0
glycine ethyl ester	[no description available]	medium	1	0
n-methylpiperidine	[no description available]	medium	1	0
benzydamine	[no description available]	medium	1	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
erythromycin	[no description available]	medium	4	0	cyclic ketone; erythromycin
tempidon	[no description available]	medium	1	0	piperidones
vancomycin	[no description available]	medium	4	0	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
clopyralid	[no description available]	medium	1	0	organochlorine pesticide; pyridines	herbicide
dimethylaminopropionitrile	[no description available]	medium	1	0
pimozide	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
5-phenylvaleric acid	[no description available]	medium	1	0	benzenes; monocarboxylic acid
cyclacillin	[no description available]	medium	1	0	penicillin	antibacterial drug
selegiline	[no description available]	medium	1	0	selegiline; terminal acetylenic compound	geroprotector
cephalexin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
metipranolol	[no description available]	medium	1	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
propamocarb	[no description available]	medium	1	0	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic
amoxicillin	[no description available]	medium	1	0	penicillin allergen; penicillin	antibacterial drug
timolol	[no description available]	medium	8	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
timolol	[no description available]	medium	8	4	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
phenyl-2-aminoethyl sulfide	[no description available]	medium	1	0
tolamolol	[no description available]	medium	1	0
methyldopa	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
sq-11725	[no description available]	medium	1	0
diltiazem	[no description available]	medium	1	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
sufentanil	[no description available]	medium	1	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
Flamprop	[no description available]	medium	1	0	benzamides
paroxetine	[no description available]	medium	1	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
remoxipride	[no description available]	medium	1	0	dimethoxybenzene
atomoxetine	[no description available]	medium	1	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
atorvastatin	[no description available]	medium	2	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
irinotecan	[no description available]	medium	1	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
trovafloxacin	[no description available]	medium	1	0
thiamorpholine	[no description available]	medium	1	0	saturated organic heteromonocyclic parent; thiomorpholines
glycyl-glycyl-glycyl-glycine	[no description available]	medium	1	0
nebivolol	[no description available]	medium	1	0	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound
carazolol	[no description available]	medium	1	0	carbazoles
methotrimeprazine	[no description available]	medium	1	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
oleandomycin	[no description available]	medium	1	0	oleandomycins
phenylalanyl-phenylalanyl-phenylalanine	[no description available]	medium	1	0	oligopeptide
3-(4-methoxybenzoyl)propionic acid	[no description available]	medium	1	0
dimethylaminopropanol	[no description available]	medium	1	0
rivastigmine	[no description available]	medium	1	0	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent
4-phenylbutylamine	[no description available]	medium	1	0	benzenes; phenylalkylamine; primary amino compound
clarithromycin	[no description available]	medium	2	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
glycinexylidide	[no description available]	medium	1	0	amino acid amide	drug metabolite
Trp-Trp	[no description available]	medium	1	0	dipeptide	Mycoplasma genitalium metabolite
kampirone	[no description available]	medium	1	0	N-arylpiperazine
nicotine	[no description available]	medium	2	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
isopelletierine	[no description available]	medium	1	0	citraconoyl group
fenpropimorph	[no description available]	medium	1	0	alkylbenzene
1-(2-pyridinyl)piperazine	[no description available]	medium	1	0
ibuprofen, (r)-isomer	[no description available]	medium	1	0	ibuprofen
deramciclane	[no description available]	medium	1	0
aspartame	[no description available]	medium	2	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
levofloxacin	[no description available]	medium	1	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
moxifloxacin	[no description available]	medium	1	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
naproxen	[no description available]	medium	1	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
atropine	[no description available]	medium	3	0
phenethicillin	[no description available]	medium	1	0	penicillin allergen; penicillin
quinidine	[no description available]	medium	3	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
norpseudoephedrine	[no description available]	medium	1	0	amphetamines; phenethylamine alkaloid	central nervous system stimulant; plant metabolite; psychotropic drug
tolterodine	[no description available]	medium	1	0	tertiary amine	antispasmodic drug; muscarinic antagonist; muscle relaxant
vinpocetine	[no description available]	medium	1	0	alkaloid	geroprotector
e-z cinnamic acid	[no description available]	medium	1	0	cinnamic acid	plant metabolite
cocaine	[no description available]	medium	1	0	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
cefamandole	[no description available]	medium	1	0	cephalosporin; semisynthetic derivative	antibacterial drug
sorbic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; sorbic acid
doxepin hydrochloride	[no description available]	medium	1	0
terbinafine	[no description available]	medium	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
tamoxifen	[no description available]	medium	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
4-methylumbelliferyl glucoside	[no description available]	medium	1	0	beta-D-glucoside; coumarins; monosaccharide derivative	chromogenic compound
quinine	[no description available]	medium	2	0	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
dinoprostone	[no description available]	high	3	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
tylosin	[no description available]	medium	1	0	aldehyde; disaccharide derivative; enone; leucomycin; macrolide antibiotic; monosaccharide derivative	allergen; bacterial metabolite; environmental contaminant; xenobiotic
alprostadil	[no description available]	medium	1	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
isotretinoin	[no description available]	medium	1	0	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
triprolidine	[no description available]	medium	1	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
codeine	[no description available]	medium	1	0	morphinane alkaloid; organic heteropentacyclic compound	antitussive; drug allergen; environmental contaminant; opioid analgesic; opioid receptor agonist; prodrug; xenobiotic
dihydrocodeine	[no description available]	medium	1	0	morphinane alkaloid
naloxone	[no description available]	medium	2	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
oxycodone	[no description available]	medium	1	0	organic heteropentacyclic compound; semisynthetic derivative	antitussive; mu-opioid receptor agonist; opioid analgesic
morphine	[no description available]	medium	3	0	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
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	1	0	dihydroxy monocarboxylic acid; indoles; organofluorine compound
codeine phosphate	[no description available]	medium	1	0
dihydromorphine	[no description available]	medium	1	0	morphinane alkaloid
morphine-6-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
butorphanol	[no description available]	medium	1	0	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic
enalapril	[no description available]	medium	1	0	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug
heroin	[no description available]	medium	1	0	morphinane alkaloid	mu-opioid receptor agonist; opioid analgesic; prodrug
enalaprilat anhydrous	[no description available]	medium	1	0	dicarboxylic acid; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
normorphine	[no description available]	medium	1	0	morphinane alkaloid
morphine-3-glucuronide	[no description available]	medium	1	0	morphinane alkaloid
1,2-dielaidoylphosphatidylethanolamine	[no description available]	medium	1	0
rosaramicin	[no description available]	medium	1	0	aldehyde; enone; epoxide; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
roxithromycin	[no description available]	medium	1	0	roxithromycin	environmental contaminant; xenobiotic
cefdinir	[no description available]	medium	1	0	cephalosporin; ketoxime	antibacterial drug
phenylalanylphenylalanine	[no description available]	medium	1	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human blood serum metabolite; Mycoplasma genitalium metabolite
norcodeine	[no description available]	medium	1	0	morphinane alkaloid
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride	[no description available]	medium	1	0
decanoylcarnitine	[no description available]	medium	1	0	decanoate ester; O-acylcarnitine	human urinary metabolite
tetracycline	[no description available]	medium	2	0
chlortetracycline	[no description available]	medium	1	0
clozapine	[no description available]	medium	2	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
olanzapine	[no description available]	medium	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor
norclozapine	[no description available]	medium	1	0	dibenzodiazepine; organochlorine compound; piperazines	delta-opioid receptor agonist; metabolite; serotonergic antagonist
2,3-diaminopropionic acid	[no description available]	medium	83	0	alanine derivative; amino acid zwitterion; beta-amino acid; diamino acid; non-proteinogenic alpha-amino acid	Escherichia coli metabolite
no 711	[no description available]	medium	1	0	diarylmethane
isoserine	[no description available]	medium	4	0
tiagabine	[no description available]	high	2	0	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor
fasudil	[no description available]	medium	1	0	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent
1-(5-isoquinolinesulfonyl)-2-methylpiperazine	[no description available]	medium	2	0	isoquinolines; N-sulfonylpiperazine	EC 2.7.11.13 (protein kinase C) inhibitor
glanatec	[no description available]	medium	6	0
carnosine	[no description available]	high	151	27	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
uric acid	[no description available]	medium	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
inosine	[no description available]	medium	1	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
abscisic acid	[no description available]	medium	1	0	2-trans-abscisic acid
endothelin-1	[no description available]	medium	1	0
benfuracarb	[no description available]	medium	17	0	1-benzofurans; carbamate ester; ethyl ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
benzofurans	[no description available]	medium	17	0
3-hydroxybutyric acid	[no description available]	medium	1	0	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
sodium bicarbonate	[no description available]	medium	21	9	one-carbon compound; organic sodium salt	antacid; food anticaking agent
putrescine	[no description available]	medium	1	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
citric acid, anhydrous	[no description available]	medium	2	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
etiocholanolone	[no description available]	medium	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid	human metabolite; mouse metabolite
pregnanolone	[no description available]	medium	4	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
u 73122	[no description available]	medium	1	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
ym-254890	[no description available]	medium	1	0
dorsomorphin	[no description available]	medium	1	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
thiophenes	[no description available]	medium	464	11	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
fumaric acid	[no description available]	medium	2	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
fumarates	[no description available]	medium	28	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
n-acetylaspartic acid	[no description available]	medium	2	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
pantothenic acid	[no description available]	medium	32	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
pyridoxal	[no description available]	medium	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cyanides	[no description available]	medium	1	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
caffeine	[no description available]	medium	15	2	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
nitrates	[no description available]	medium	5	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
anserine	[no description available]	medium	11	2	beta-alanine derivative; dipeptide; zwitterion	animal metabolite; mouse metabolite
squalene	[no description available]	medium	1	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
mevalonic acid	[no description available]	medium	1	0	3,5-dihydroxy-3-methylpentanoic acid
capsaicin	[no description available]	medium	6	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
dabigatran	[no description available]	medium	1,050	52	aromatic amide; benzimidazoles; beta-alanine derivative; carboxamidine; pyridines	anticoagulant; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; EC 3.4.21.5 (thrombin) inhibitor
warfarin	[no description available]	medium	420	27	benzenes; hydroxycoumarin; methyl ketone
spermidine	[no description available]	medium	2	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
carcinine	[no description available]	medium	7	0	beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound	antioxidant; crustacean metabolite
colforsin	[no description available]	medium	5	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
retinaldehyde	[no description available]	medium	1	0	retinal; vitamin A	gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite
dimethyl sulfoxide	[no description available]	medium	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
2-propanol	[no description available]	medium	3	0	secondary alcohol; secondary fatty alcohol	protic solvent
citrulline	[no description available]	high	6	0	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
3-hydroxyanthranilic acid	[no description available]	medium	1	0	aminobenzoic acid; monohydroxybenzoic acid	human metabolite; mouse metabolite
aminomethanesulfonic acid	[no description available]	medium	2	0
latanoprost	[no description available]	medium	14	5	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug
coenzyme a	[no description available]	medium	14	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
threonine	[no description available]	high	6	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
asparagine	[no description available]	high	16	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
pectins	[no description available]	medium	1	0	D-galactopyranuronic acid
selenocysteine	[no description available]	medium	1	0
carbocysteine	[no description available]	medium	1	0	L-cysteine thioether; non-proteinogenic L-alpha-amino acid	mucolytic
cysteine	[no description available]	medium	30	0	cysteinium	fundamental metabolite
arachidonic acid	[no description available]	medium	3	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
aminolevulinic acid	[no description available]	high	6	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
kynurenine	[no description available]	medium	2	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
phosphoric acid, trisodium salt	[no description available]	medium	1	0	sodium phosphate
pyruvaldehyde	[no description available]	medium	5	0	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
alamandine	[no description available]	medium	1	0	peptide
chitosan	[no description available]	medium	1	0
naphthoquinones	[no description available]	medium	1	0
lactic acid	[no description available]	medium	35	22	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
acetyl coenzyme a	[no description available]	medium	4	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
propylene glycol	[no description available]	medium	1	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
nad	[no description available]	medium	6	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
pyridoxal phosphate	[no description available]	medium	14	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
lithium	[no description available]	medium	4	0	alkali metal atom
5'-deoxy-5-fluorocytidine	[no description available]	medium	1	0	N-glycosyl compound
alpha-fluoro-beta-alanine	[no description available]	medium	71	4	organonitrogen compound; organooxygen compound
doxifluridine	[no description available]	medium	7	1	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug
capecitabine	[no description available]	medium	7	2	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug
fluorouracil	[no description available]	medium	71	4	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
hydracrylic acid	[no description available]	medium	7	0	3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid	Escherichia coli metabolite; human metabolite
methanol	[no description available]	medium	5	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
pyrimidine	[no description available]	medium	8	0	diazine; pyrimidines	Daphnia magna metabolite
uracil	[no description available]	medium	35	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
indazoles	[no description available]	medium	1	0	indazole
acrylamide	[no description available]	medium	15	0	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
triazoles	[no description available]	medium	2	0	1,2,3-triazole
vitamin b 12	[no description available]	medium	1	0
pyridine	[no description available]	medium	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
zirconium	[no description available]	medium	1	0	titanium group element atom
disiloxane	[no description available]	medium	1	0	siloxane
guanidine	[no description available]	medium	4	0	carboxamidine; guanidines; one-carbon compound
butyric acid	[no description available]	medium	3	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
oxaloacetic acid	[no description available]	medium	2	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
singlet oxygen	[no description available]	medium	1	0	chalcogen; monoatomic oxygen; nonmetal atom	macronutrient
phytochlorin	[no description available]	medium	1	0
fullerene c60	[no description available]	medium	3	0	fullerene	geroprotector
diazoacetic ester	[no description available]	medium	1	0
glutamine	[no description available]	high	44	2	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
2,2-dimethyl-beta-alanine	[no description available]	medium	150	4
meropenem	[no description available]	medium	8	1	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen
cefotaxime	[no description available]	medium	3	0	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen
panipenem-betamipron	[no description available]	medium	67	17
1-propanol	[no description available]	medium	1	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
dorzolamide	[no description available]	medium	1	0	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor
3-chloroalanine	[no description available]	medium	70	0	chloroalanine; non-proteinogenic alpha-amino acid; organochlorine compound
acrylic acid	[no description available]	medium	4	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
ethyl-3-(n-n-butyl-n-acetyl)aminopropionate	[no description available]	medium	13	1	acetamides; ethyl ester; tertiary carboxamide
imidazole	[no description available]	medium	5	0	imidazole
homocarnosine	[no description available]	medium	5	0	dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid	human metabolite
willardiine	[no description available]	medium	1	0	amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid
auy 954	[no description available]	medium	15	0
oxadiazoles	[no description available]	medium	7	0
glycogen	[no description available]	medium	6	0
2,4-diaminobutyric acid	[no description available]	medium	14	0	diamino acid; gamma-amino acid; non-proteinogenic alpha-amino acid
ornithine	[no description available]	medium	6	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
fluoroacetic acid	[no description available]	medium	4	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
ammonium hydroxide	[no description available]	medium	12	1	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
prednisolone	[no description available]	medium	2	1	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
prednisolone acetate	[no description available]	medium	1	1	corticosteroid hormone
hydrogen	[no description available]	medium	5	1	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
aceclofenac	[no description available]	medium	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
methylamine	[no description available]	medium	2	0	methylamines; one-carbon compound; primary aliphatic amine	mouse metabolite
trans-4-coumaric acid	[no description available]	medium	1	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
hippuric acid	[no description available]	medium	2	0	N-acylglycine	human blood serum metabolite; uremic toxin
mannitol	[no description available]	medium	4	0	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
3-o-methylglucose	[no description available]	medium	6	0	D-aldohexose derivative
taurochenodeoxycholic acid	[no description available]	medium	3	0	bile acid taurine conjugate	human metabolite; mouse metabolite
4-chlorobenzoic acid	[no description available]	medium	1	0	monochlorobenzoic acid	bacterial xenobiotic metabolite
glucuronic acid	[no description available]	medium	1	0	D-glucuronic acid	algal metabolite
taurochenodeoxycholate-3-sulfate	[no description available]	medium	1	0	bile acid taurine conjugate
az 505	[no description available]	medium	4	0
riluzole	[no description available]	medium	1	0	benzothiazoles
beta-hydroxyisovaleric acid	[no description available]	medium	2	0	3-hydroxy monocarboxylic acid	human metabolite
valerates	[no description available]	medium	5	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
folic acid	[no description available]	medium	3	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
ethylenediamine	[no description available]	medium	3	0	alkane-alpha,omega-diamine	GABA agonist
fluoroboric acid	[no description available]	medium	2	0	boron fluoride
methane	[no description available]	medium	1	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
catechin	[no description available]	medium	4	0	catechin	antioxidant; plant metabolite
epigallocatechin gallate	[no description available]	medium	4	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
eicosapentaenoic acid	[no description available]	medium	2	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
d-alpha tocopherol	[no description available]	medium	4	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
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid	[no description available]	medium	1	0	dicarboxylic acid; furoic acid	human metabolite; uremic toxin
tiletamine hydrochloride	[no description available]	medium	1	0
piperidines	[no description available]	medium	16	0
picaridin	[no description available]	medium	4	0	carboxylic acid; piperidines
deet	[no description available]	medium	9	1	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
acetylcysteine	[no description available]	medium	3	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
leukotriene b4	[no description available]	medium	3	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
sc 57461	[no description available]	medium	10	0
ino-8875	[no description available]	medium	1	0
n(beta)-alanyldopamine	[no description available]	medium	2	0	catechols; primary amino compound; secondary carboxamide
glycerol	[no description available]	medium	5	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
fructooligosaccharide	[no description available]	medium	1	0	oligosaccharide
chloroquine	[no description available]	medium	3	0	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug
ximelagatran	[no description available]	medium	9	0	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
vitamin k semiquinone radical	[no description available]	medium	75	0
sanorg 34006	[no description available]	medium	4	0
metformin	[no description available]	medium	3	2	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
5-hydroxyhexanoic acid	[no description available]	medium	1	0	(omega-1)-hydroxy fatty acid; medium-chain fatty acid	human urinary metabolite
acrolein	[no description available]	medium	2	0	enal	herbicide; human xenobiotic metabolite; toxin
beta-alanine amide	[no description available]	medium	15	0	amino acid amide
zinc sulfate	[no description available]	medium	1	0	metal sulfate; zinc molecular entity	fertilizer
biotin	[no description available]	medium	3	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
hypotaurine	[no description available]	medium	18	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
malonic semialdehyde	[no description available]	medium	3	0	aldehydic acid
malondialdehyde	[no description available]	medium	7	0	dialdehyde	biomarker
beta-escin	[no description available]	medium	1	0
valinomycin	[no description available]	medium	1	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
vx-770	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
semaglutide	[no description available]	medium	1	0	lipopeptide; polypeptide	anti-obesity agent; appetite depressant; glucagon-like peptide-1 receptor agonist; hypoglycemic agent; neuroprotective agent
ozenoxacin	[no description available]	medium	1	0	quinolines
pf 04971729	[no description available]	medium	1	0	diarylmethane
carbostyril	[no description available]	medium	2	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
oxyntomodulin	[no description available]	medium	1	0
alpha-aminopyridine	[no description available]	medium	3	0
kynuramine	[no description available]	medium	1	0	kynurenamines; primary amino compound	metabolite
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	8	0	non-proteinogenic alpha-amino acid
copper sulfate	[no description available]	medium	1	0	metal sulfate	emetic; fertilizer; sensitiser
losartan potassium	[no description available]	medium	1	0
phenyl acetate	[no description available]	medium	10	0	benzenes; phenyl acetates
glycosides	[no description available]	medium	3	0
pentobarbital	[no description available]	medium	6	0	barbiturates	GABAA receptor agonist
propofol	[no description available]	medium	2	0	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
rivaroxaban	[no description available]	medium	426	11	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
apixaban	[no description available]	medium	312	3	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
clopidogrel	[no description available]	medium	20	1	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
ticagrelor	[no description available]	medium	7	1	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
ticlopidine	[no description available]	medium	20	1	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
adenosine	[no description available]	medium	10	1	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
prasugrel hydrochloride	[no description available]	medium	9	0
coumarin	[no description available]	medium	1	0	coumarins	fluorescent dye; human metabolite; plant metabolite
thromboplastin	[no description available]	medium	7	0
methyl ferulate	[no description available]	medium	1	0	cinnamate ester; guaiacols; methyl ester	plant metabolite
fibrinogen	[no description available]	medium	8	0	iditol	fungal metabolite
mci 9038	[no description available]	medium	9	0	peptide
refludan	[no description available]	medium	1	0
bivalirudin	[no description available]	medium	6	0	polypeptide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
hirudin	[no description available]	medium	9	0
thiazoles	[no description available]	medium	61	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
edoxaban	[no description available]	medium	55	0	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor
idrabiotaparinux	[no description available]	medium	1	0
darexaban	[no description available]	medium	3	0
acenocoumarol	[no description available]	medium	6	0	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
methylhexaneamine	[no description available]	medium	1	0	alkylamine
phosphorus	[no description available]	medium	3	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
dalteparin	[no description available]	medium	22	4
fibrin	[no description available]	medium	6	0	peptide
hydrogen carbonate	[no description available]	medium	9	1	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
spironolactone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
cardiovascular agents	[no description available]	medium	1	0
fondaparinux	[no description available]	medium	19	0	amino sugar; oligosaccharide sulfate; pentasaccharide derivative	anticoagulant
limestone	[no description available]	medium	1	1	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
2',7'-dichlorodihydrofluorescein	[no description available]	medium	1	0
erythrosine	[no description available]	medium	4	0
vitamin k 1	[no description available]	medium	2	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
losartan	[no description available]	medium	1	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
beta-naphthylalanine	[no description available]	medium	13	0
phenprocoumon	[no description available]	medium	8	2	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
hc 030031	[no description available]	medium	1	0
glycylsarcosine	[no description available]	medium	3	0	dipeptide zwitterion; dipeptide
pyrroles	[no description available]	medium	8	0	pyrrole; secondary amine
isobutyric acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; fatty acid 4:0; methyl-branched fatty acid	Daphnia magna metabolite; plant metabolite; volatile oil component
fluorodeoxyglucose f18	[no description available]	medium	3	1	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
n-carbamoyl-beta-alanine	[no description available]	medium	21	1	beta-alanine derivative	metabolite; mouse metabolite
dronedarone	[no description available]	medium	11	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
iopamidol	[no description available]	medium	1	0	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
ketoconazole	[no description available]	medium	1	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
azd 0837	[no description available]	medium	2	0
ouabain	[no description available]	medium	10	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
sevoflurane	[no description available]	medium	1	0	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor
tetrodotoxin	[no description available]	medium	7	0	azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid	animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker
halothane	[no description available]	medium	1	0	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic
oligonucleotides	[no description available]	medium	1	0
durapatite	[no description available]	medium	2	0
digoxin	[no description available]	medium	1	0	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
vorapaxar	[no description available]	medium	1	0	carbamate ester; lactone; naphthofuran; organofluorine compound; pyridines	cardiovascular drug; platelet aggregation inhibitor; protease-activated receptor-1 antagonist
e 5555	[no description available]	medium	1	0	aromatic ketone
chlorogenic acid	[no description available]	medium	1	0	cinnamate ester; tannin	food component; plant metabolite
5,6,2',3',5',6'-hexamethoxyflavone	[no description available]	medium	1	0
phosphoserine	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
staphyloferrin b	[no description available]	medium	3	0	oxo carboxylic acid; tertiary alcohol; tricarboxylic acid amide; tricarboxylic acid	bacterial metabolite; siderophore
ketamine	[no description available]	medium	1	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
2-mercaptoacetate	[no description available]	medium	1	0	monocarboxylic acid anion
chlorine	[no description available]	medium	39	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
choline	[no description available]	medium	9	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
strychnine	[no description available]	medium	45	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
protoporphyrin ix	[no description available]	medium	2	0
nnc 711	[no description available]	medium	3	0
homoarginine	[no description available]	medium	1	0	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
quinazolines	[no description available]	medium	3	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
bicuculline	[no description available]	medium	19	0	benzylisoquinoline alkaloid; isoquinoline alkaloid; isoquinolines	agrochemical; central nervous system stimulant; GABA-gated chloride channel antagonist; GABAA receptor antagonist; neurotoxin
uridine	[no description available]	medium	8	0	uridines	drug metabolite; fundamental metabolite; human metabolite
propyl pyrazinoate	[no description available]	medium	1	0
niacinamide	[no description available]	medium	1	0	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
pyrazinoic acid	[no description available]	medium	1	0	pyrazinecarboxylic acid	antitubercular agent; drug metabolite
pyrazinamide	[no description available]	medium	1	0	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pantetheine	[no description available]	medium	4	0	pantetheines; thiol	human metabolite; metabolite; mouse metabolite
5-chloropyrazinamide	[no description available]	medium	1	0
alanylaspartic acid	[no description available]	medium	1	0	peptide
nonanal	[no description available]	medium	1	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human metabolite; plant metabolite
menthol	[no description available]	medium	1	0	p-menthane monoterpenoid; secondary alcohol	volatile oil component
terpin	[no description available]	medium	1	0	p-menthane monoterpenoid
methyl jasmonate	[no description available]	medium	1	0
cyclopentane	[no description available]	medium	1	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
gold	[no description available]	medium	2	0	copper group element atom; elemental gold
fucose	[no description available]	medium	1	0	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
per977	[no description available]	medium	1	0
picric acid	[no description available]	medium	1	0	C-nitro compound	antiseptic drug; explosive; fixative
carnitine	[no description available]	medium	3	1	amino-acid betaine	human metabolite; mouse metabolite
gamma-butyrobetaine	[no description available]	medium	1	0	amino-acid betaine	Escherichia coli metabolite; human metabolite
calixarenes	[no description available]	medium	1	0
beta-ureidoisobutyric acid	[no description available]	medium	2	0	ureidocarboxylic acid	human metabolite; mouse metabolite
beta-ureidoisobutyric acid	[no description available]	medium	2	1	ureidocarboxylic acid	human metabolite; mouse metabolite
urea	[no description available]	medium	19	1	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	[no description available]	medium	20	0	enoate ester; methyl ester; monocarboxylic acid amide	metabolite
glucosamine	[no description available]	medium	8	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
glucagon	[no description available]	medium	7	1	peptide hormone
muramidase	[no description available]	medium	1	0
n,n-bis(2-hydroxyethyl)glycine	[no description available]	medium	2	0	bicine
maleic anhydride	[no description available]	medium	1	0	cyclic dicarboxylic anhydride; furans	allergen
calcium propionate	[no description available]	medium	1	0	dicarboxylic acid
sodium propionate	[no description available]	medium	2	0	organic sodium salt	antifungal drug; food preservative
bromodeoxyuridine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
gadolinium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
pantoprazole	[no description available]	medium	2	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
xylose	[no description available]	medium	2	0	D-xylose
hydroxide ion	[no description available]	medium	1	0	oxygen hydride	mouse metabolite
3,4-dihydroxybutanoic acid	[no description available]	medium	1	0	3-hydroxy fatty acid; omega-hydroxy-short-chain fatty acid	human metabolite
kojic acid	[no description available]	medium	1	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
aluminum	[no description available]	medium	3	0	boron group element atom; elemental aluminium; metal atom
3-aminopropionaldehyde	[no description available]	medium	3	0	omega-aminoaldehyde; propanals
2-aminoadipic acid	[no description available]	medium	2	1	amino dicarboxylic acid; dicarboxylic fatty acid; non-proteinogenic alpha-amino acid	Caenorhabditis elegans metabolite; mammalian metabolite
cetoleic acid	[no description available]	medium	1	1	docosenoic acid	Daphnia tenebrosa metabolite
destruxin e	[no description available]	medium	1	0	cyclodepsipeptide
osmium	[no description available]	medium	1	0	iron group element atom; platinum group metal atom
2-methyl-6-nitrobenzoic anhydride	[no description available]	medium	1	0
myristicin	[no description available]	medium	1	0	organic molecular entity	metabolite
safrole	[no description available]	medium	1	0	benzodioxoles	flavouring agent; insecticide; metabolite; plant metabolite
methyleugenol	[no description available]	medium	1	0	phenylpropanoid
pyrogallol	[no description available]	medium	1	0	benzenetriol; phenolic donor	plant metabolite
mocetinostat	[no description available]	medium	6	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
leptin	[no description available]	medium	4	0
sodium lactate	[no description available]	medium	1	0	lactate salt; organic sodium salt	food acidity regulator; food preservative
calcium lactate	[no description available]	medium	1	0
sodium citrate, anhydrous	[no description available]	medium	2	0	organic sodium salt	anticoagulant; flavouring agent
gaboxadol	[no description available]	medium	2	0	oxazole
vigabatrin	[no description available]	medium	8	1	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
guvacine	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine	GABA reuptake inhibitor; plant metabolite
isoxazoles	[no description available]	medium	4	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
2-aminobicyclo(2,2,1)heptane-2-carboxylic acid	[no description available]	medium	13	0	monoterpenoid
adenosine monophosphate	[no description available]	medium	4	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
lysophosphatidylcholines	[no description available]	medium	1	0	1-O-acyl-sn-glycero-3-phosphocholine
myelin basic protein	[no description available]	medium	1	0
siponimod	[no description available]	medium	1	0
cytochrome c-t	[no description available]	medium	1	0
malonic acid	[no description available]	medium	2	0	alpha,omega-dicarboxylic acid	human metabolite
c-peptide	[no description available]	medium	2	1
glucagon-like peptide 1	[no description available]	medium	1	1
aminooxyacetic acid	[no description available]	medium	10	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
ifosfamide	[no description available]	medium	1	0	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
methotrexate	[no description available]	medium	4	0	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
vildagliptin	[no description available]	medium	1	0	amino acid amide
adamantane	[no description available]	medium	1	0	adamantanes; polycyclic alkane
2-hydroxypyridine	[no description available]	medium	1	0	monohydroxypyridine	plant metabolite
4-hydroxypyridine	[no description available]	medium	1	0	4-pyridones; monohydroxypyridine
chlorine	[no description available]	medium	4	0	diatomic chlorine; gas molecular entity	bleaching agent
sr 95531	[no description available]	medium	4	0	methoxybenzenes
midazolam	[no description available]	medium	1	0	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid	[no description available]	medium	1	0
1-pyrenebutyrate	[no description available]	medium	1	0
methylene blue	[no description available]	medium	1	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
sphingosine	[no description available]	medium	17	0	sphing-4-enine	human metabolite; mouse metabolite
VPC 23019	[no description available]	medium	1	0	aromatic amide; D-serine derivative; organic phosphate; phosphoric ester; secondary carboxamide	sphingosine-1-phosphate receptor 1 antagonist; sphingosine-1-phosphate receptor 3 antagonist
organophosphonates	[no description available]	medium	5	0	divalent inorganic anion; phosphite ion
3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid	[no description available]	medium	1	0
bml 241	[no description available]	medium	1	0	L-alpha-amino acid
2-aminoacridone	[no description available]	medium	1	0	acridines
glycidyl nitrate	[no description available]	medium	5	0
brefeldin a	[no description available]	medium	1	0	macrolide antibiotic	Penicillium metabolite
beta-lactams	[no description available]	medium	3	0	beta-lactam antibiotic allergen; beta-lactam
glutaminase	[no description available]	medium	1	0
tin	[no description available]	medium	1	0	carbon group element atom; elemental tin; metal atom	micronutrient
ribose	[no description available]	medium	1	0	D-ribose; ribopyranose
manganese	[no description available]	medium	3	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
arabinose	[no description available]	medium	1	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
inositol	[no description available]	medium	5	0	cyclitol; hexol
tolfenamic acid	[no description available]	medium	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
neuropeptide y	[no description available]	medium	1	0
prolyl-glycyl-proline	[no description available]	medium	1	0	peptide
fluorine	[no description available]	medium	10	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
guanidinoethane sulfonate	[no description available]	medium	12	0	guanidines; organosulfonic acid; zwitterion
dityrosine	[no description available]	medium	1	0	biphenyls; non-proteinogenic alpha-amino acid; tyrosine derivative	biomarker
oxazoles	[no description available]	medium	4	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
sucrose	[no description available]	medium	3	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
D-fructopyranose	[no description available]	medium	5	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
zwittermicin a	[no description available]	medium	1	0	4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide; peptide antibiotic	antifungal agent; bacterial metabolite
fluconazole	[no description available]	medium	2	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
cholic acid	[no description available]	medium	2	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
cystine	[no description available]	medium	3	0
enkephalin, leucine	[no description available]	medium	3	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
niobium	[no description available]	medium	1	0	vanadium group element atom
oxyquinoline	[no description available]	medium	2	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
8-hydroxyquinoline-5-sulfonic acid	[no description available]	medium	1	0
sew2871	[no description available]	medium	3	0	oxadiazole; ring assembly
bucladesine	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide
calcitriol	[no description available]	medium	2	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
kt 5720	[no description available]	medium	1	0	carboxylic ester; gamma-lactam; hemiaminal; indolocarbazole; organic heterooctacyclic compound; semisynthetic derivative; tertiary alcohol	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
tacrolimus	[no description available]	medium	1	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	2	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
carbocyanines	[no description available]	medium	2	0	cyanine dye; organic iodide salt	fluorochrome
potassium oxonate	[no description available]	medium	1	0	organic molecular entity
5-fluorodihydrouracil	[no description available]	medium	8	0	pyrimidone
oxonic acid	[no description available]	medium	5	0	1,3,5-triazines; monocarboxylic acid
dihydrouracil	[no description available]	medium	12	0	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
cyanuric acid	[no description available]	medium	1	0	1,3,5-triazinanes; 1,3,5-triazines; heteroaryl hydroxy compound	xenobiotic
tegafur	[no description available]	medium	10	0	organohalogen compound; pyrimidines
s 1 (combination)	[no description available]	medium	5	0
gimeracil	[no description available]	medium	1	0	organic molecular entity
piperazine	[no description available]	medium	2	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
safingol	[no description available]	medium	4	0	amino alcohol
thermozymocidin	[no description available]	medium	2	0	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent
glycolipids	[no description available]	medium	2	0
deoxycytidine	[no description available]	medium	5	2	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methyl tert-butyl ether	[no description available]	medium	1	0	ether	fuel additive; metabolite; non-polar solvent
bicuculline methiodide	[no description available]	medium	1	0
6-aminomethyl-3-methyl-4h-1,2,4-benzothiadiazine 1,1-dioxide	[no description available]	medium	1	0
mannose	[no description available]	medium	1	0	D-aldohexose; D-mannose; mannopyranose	metabolite
fructose-6-phosphate	[no description available]	medium	2	0	D-fructose 6-phosphate
uridine diphosphate n-acetylglucosamine	[no description available]	medium	1	0
ao 128	[no description available]	medium	1	0	organic molecular entity
glutaral	[no description available]	medium	1	0	dialdehyde	cross-linking reagent; disinfectant; fixative
n-acetylcarnosine	[no description available]	medium	1	0	dipeptide	metabolite
krypton	[no description available]	medium	1	0	monoatomic krypton; noble gas atom; p-block element atom
argon	[no description available]	medium	1	0	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
homocholine	[no description available]	medium	1	0
n-hydroxysuccinimide	[no description available]	medium	1	0
alpha-synuclein	[no description available]	medium	1	0
mocimycin	[no description available]	medium	2	0	C-glycosyl compound
lovastatin	[no description available]	medium	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
enfuvirtide	[no description available]	medium	1	0
2,4-decadienal	[no description available]	medium	1	0	polyunsaturated fatty aldehyde	apoptosis inducer; nematicide
staphyloferrin a	[no description available]	medium	1	0	D-ornithine derivative; pentacarboxylic acid; tertiary alcohol; tricarboxylic acid amide	bacterial metabolite; siderophore
fingolimod hydrochloride	[no description available]	medium	8	0	hydrochloride	immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
pulmicort	[no description available]	medium	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
titanium	[no description available]	medium	1	0	titanium group element atom
perchlorate	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
hydantoins	[no description available]	medium	1	0	imidazolidine-2,4-dione
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	2	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
noc 18	[no description available]	medium	1	0
deferoxamine	[no description available]	medium	2	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
sphingosine 1-phosphate	[no description available]	medium	2	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
hydroxyindoleacetic acid	[no description available]	medium	3	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
nickel	[no description available]	medium	4	0	metal allergen; nickel group element atom	epitope; micronutrient
gastrin-releasing peptide	[no description available]	medium	1	0
phthalic anhydride	[no description available]	medium	1	0	2-benzofurans; cyclic dicarboxylic anhydride	allergen
acrylonitrile	[no description available]	medium	2	0	aliphatic nitrile; volatile organic compound	antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent
nitroaniline	[no description available]	medium	1	0
formaldehyde	[no description available]	medium	2	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
isovaline	[no description available]	medium	2	0
norvalyl-n(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid	[no description available]	medium	4	0
melagatran	[no description available]	medium	1	0	azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor
cobalt	[no description available]	medium	2	0	cobalt group element atom; metal allergen	micronutrient
chloroform	[no description available]	medium	2	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
o-phthalaldehyde	[no description available]	medium	1	0	benzaldehydes; dialdehyde	epitope
ethanethiol	[no description available]	medium	1	0	alkanethiol	rodenticide
arabinofuranosyluracil	[no description available]	medium	1	0
cytarabine	[no description available]	medium	2	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
gemcitabine	[no description available]	medium	1	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
oxalylglycine	[no description available]	medium	1	0	amino dicarboxylic acid; N-acylglycine	EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor
concanavalin a	[no description available]	medium	1	0
5-taurinomethyluridine	[no description available]	medium	1	0
iridoids	[no description available]	medium	1	0
egtazic acid	[no description available]	medium	4	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
ovalbumin	[no description available]	medium	2	0
nitrophenols	[no description available]	medium	2	0
betrixaban	[no description available]	medium	4	0	benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
adipic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
vernakalant	[no description available]	medium	2	0	alcohol; phenols
beta-n-methylamino-l-alanine	[no description available]	medium	19	0	diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	bacterial metabolite; neurotoxin
uk 68798	[no description available]	medium	1	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
dobutamine	[no description available]	medium	1	0	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
interleukin-8	[no description available]	medium	2	1
natriuretic peptide, brain	[no description available]	medium	1	0	polypeptide
maltodextrin	[no description available]	medium	1	1
alpha-fluoro-beta-ureidopropionic acid	[no description available]	medium	7	0	carboxylic acid; organohalogen compound
floxuridine	[no description available]	medium	12	1	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
ro13-9904	[no description available]	medium	3	0
glutathione disulfide	[no description available]	medium	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
6-methyl-2-(phenylethynyl)pyridine	[no description available]	medium	1	0	acetylenic compound; methylpyridines	anxiolytic drug; metabotropic glutamate receptor antagonist
doripenem	[no description available]	medium	1	0	carbapenems
ljc 10627	[no description available]	medium	3	0	carbapenems; organic sulfide; pyrazolotriazole	antibacterial drug
imipenem, anhydrous	[no description available]	medium	10	1	beta-lactam antibiotic allergen; carbapenems; zwitterion	antibacterial drug
cilastatin	[no description available]	medium	9	1	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
ertapenem	[no description available]	medium	1	0	carbapenemcarboxylic acid; pyrrolidinecarboxamide	antibacterial drug
carbapenems	[no description available]	medium	6	1
cilastatin, imipenem drug combination	[no description available]	medium	9	1
acamprosate	[no description available]	medium	1	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
org 24598	[no description available]	medium	1	0
paclitaxel	[no description available]	medium	1	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
2,3-diaminobutanoic acid	[no description available]	medium	1	0
n-heptane	[no description available]	medium	1	0	alkane; volatile organic compound	non-polar solvent; plant metabolite
8-epi-prostaglandin f2alpha	[no description available]	medium	1	1	F2-isoprostane	biomarker; bronchoconstrictor agent; vasoconstrictor agent
dinoprost	[no description available]	medium	1	1	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
2-aminocyclobutane-1-carboxylic acid	[no description available]	medium	1	0
curcumin	[no description available]	medium	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
3-aminoisobutyric acid	[no description available]	medium	17	0	amino acid zwitterion; beta-amino acid	metabolite
3-aminoisobutyric acid	[no description available]	medium	17	1	amino acid zwitterion; beta-amino acid	metabolite
albuterol	[no description available]	medium	2	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
1-aminocyclopropane-1-carboxylic acid	[no description available]	medium	1	0	amino acid zwitterion; monocarboxylic acid; non-proteinogenic alpha-amino acid	ethylene releasers; plant metabolite
salmeterol xinafoate	[no description available]	medium	1	0	naphthoic acid
pyrazole	[no description available]	medium	1	0	pyrazole
leuprolide	[no description available]	medium	1	0	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist
ethidium	[no description available]	medium	2	0	phenanthridines	fluorochrome; intercalator
dihydroethidium	[no description available]	medium	1	0
cifenline	[no description available]	medium	1	0	diarylmethane
zd 6474	[no description available]	medium	1	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
simvastatin	[no description available]	medium	1	1	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
carboxyl radical	[no description available]	medium	1	0	carbon oxide; organic radical anion	xenobiotic metabolite
cysteic acid	[no description available]	medium	4	0	alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid	animal metabolite
cysteine sulfinic acid	[no description available]	medium	2	0
morin	[no description available]	medium	1	0	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
diethylstilbestrol	[no description available]	medium	1	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
glyoxal	[no description available]	medium	1	0	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
urethane	[no description available]	medium	1	0	carbamate ester	fungal metabolite; mutagen
plerixafor	[no description available]	medium	1	0	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant
atomoxetine hydrochloride	[no description available]	medium	1	0	hydrochloride	adrenergic uptake inhibitor; antidepressant
aliskiren	[no description available]	medium	1	0	monocarboxylic acid amide; monomethoxybenzene	antihypertensive agent
sodium azide	[no description available]	medium	3	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
s-(1,1,2,2-tetrafluoroethyl)cysteine	[no description available]	medium	3	0
thiosulfates	[no description available]	medium	2	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
leukotriene a4	[no description available]	medium	3	0	epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid	human metabolite; mouse metabolite; plant metabolite
beta-proline	[no description available]	medium	2	0
4-ethynylbiphenyl	[no description available]	medium	1	0
temafloxacin	[no description available]	medium	1	0	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
cefazolin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
sparfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone
enoxacin	[no description available]	medium	1	0	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor
pazufloxacin	[no description available]	medium	2	0	quinolines
cysteamine	[no description available]	medium	3	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
transferrin	[no description available]	medium	1	0
3-methylhistidine	[no description available]	medium	1	0	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite; Saccharomyces cerevisiae metabolite
rifampin	[no description available]	medium	1	0	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
phenobarbital	[no description available]	medium	2	0	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
diethyl maleate	[no description available]	medium	1	0	ethyl ester; maleate ester	glutathione depleting agent
s-nitrosocysteine	[no description available]	medium	1	0	L-cysteine derivative; nitrosothio compound	hematologic agent; platelet aggregation inhibitor; vasodilator agent
2-keto-4-methylvalerate	[no description available]	medium	1	0	2-oxo monocarboxylic acid; branched-chain keto acid	algal metabolite; human metabolite
oxalic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
silver chloride	[no description available]	medium	1	0	inorganic chloride; silver salt
platinum	[no description available]	medium	1	0	elemental platinum; nickel group element atom; platinum group metal atom
silver	[no description available]	medium	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
panipenem	[no description available]	medium	2	0	organic molecular entity
cephalosporin c	[no description available]	medium	2	0	cephalosporin	fungal metabolite
levoleucovorin	[no description available]	medium	1	1	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite
mk 0591	[no description available]	medium	1	0
cp 105696	[no description available]	medium	1	0
copper gluconate	[no description available]	medium	2	0	organic molecular entity
nitrilotriacetic acid	[no description available]	medium	2	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
diethylenetriaminepenta(methylenephosphonic) acid	[no description available]	medium	1	0
angiotensin ii	[no description available]	high	2	0	amino acid zwitterion; angiotensin II	human metabolite
picrotoxin	[no description available]	medium	16	0
phytosphingosine	[no description available]	medium	1	0	amino alcohol; sphingoid; triol	mouse metabolite; Saccharomyces cerevisiae metabolite
alkenes	[no description available]	medium	1	0
deoxyglucose	[no description available]	medium	5	0
oleic acid	[no description available]	medium	1	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
glycylleucine	[no description available]	medium	1	0
thyroxine	[no description available]	medium	2	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
triiodothyronine	[no description available]	high	3	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
phosphocreatine	[no description available]	medium	3	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
naphthalene	[no description available]	medium	1	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
2-thienylalanine	[no description available]	medium	1	0
leucyl-alanine	[no description available]	medium	1	0	dipeptide	metabolite
5'-phospho-2'-deoxyribocytidylylriboadenosine	[no description available]	medium	1	0
melphalan	[no description available]	medium	2	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
azaserine	[no description available]	medium	1	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
fluorides	[no description available]	medium	3	0	halide anion; monoatomic fluorine
oxalates	[no description available]	medium	1	0
mitomycin	[no description available]	medium	3	0	mitomycin	alkylating agent; antineoplastic agent
1-methylhistidine	[no description available]	medium	1	0	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite
yttrium radioisotopes	[no description available]	medium	1	0
1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid	[no description available]	medium	1	0	azamacrocycle	chelator; copper chelator
formylmethionyl-leucyl-phenylalanine methyl ester	[no description available]	medium	1	0	peptide
n-formylmethionine leucyl-phenylalanine	[no description available]	medium	2	0	tripeptide
potassium chloride	[no description available]	medium	5	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
desoxycorticosterone	[no description available]	medium	3	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
tetrahydrodeoxycorticosterone	[no description available]	medium	2	0	21-hydroxy steroid
permethrin	[no description available]	medium	1	0	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
carbofuran	[no description available]	medium	5	0	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide
dibutylaminosulfenylcarbofuran	[no description available]	medium	3	0	1-benzofurans; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; nematicide
carbamates	[no description available]	medium	9	0	amino-acid anion
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid	[no description available]	medium	1	0	polyamino carboxylic acid; tetracarboxylic acid	chelator
tolbutamide	[no description available]	medium	1	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
thymine	[no description available]	medium	6	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
serinol	[no description available]	medium	1	0
adenosine-5'-(n-ethylcarboxamide)	[no description available]	medium	1	0	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
2-chloroadenosine	[no description available]	medium	1	0	purine nucleoside
ng-nitroarginine methyl ester	[no description available]	medium	3	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
zm 241385	[no description available]	medium	1	0	diamino-1,3,5-triazine
phenylephrine	[no description available]	medium	4	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
n(6)-cyclopentyladenosine	[no description available]	medium	1	0
hydroxyl radical	[no description available]	medium	3	0	oxygen hydride; oxygen radical; reactive oxygen species
6-deoxyerythronolide b	[no description available]	medium	1	0	erythronolide
cortisone	[no description available]	medium	1	0	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
dizocilpine maleate	[no description available]	medium	6	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
trimethoprim, sulfamethoxazole drug combination	[no description available]	medium	1	0
minocycline	[no description available]	medium	2	0
n-methylacrylamide	[no description available]	medium	2	0
carbon tetrachloride	[no description available]	medium	3	0	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
oxazolidin-2-one	[no description available]	medium	1	0	carbamate ester; oxazolidinone	metabolite
cyclopropane	[no description available]	medium	1	0	cycloalkane; cyclopropanes	inhalation anaesthetic
alpha-ketobutyric acid	[no description available]	medium	2	0	2-oxo monocarboxylic acid; short-chain fatty acid
vinylglycine	[no description available]	medium	1	0	glycine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor
fluorexon	[no description available]	medium	2	0	xanthene dye	fluorochrome
stearic acid	[no description available]	medium	1	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
r-106	[no description available]	medium	1	0
pilocarpine	[no description available]	medium	1	0	pilocarpine	antiglaucoma drug
glycidyl methacrylate	[no description available]	medium	2	0	enoate ester; epoxide
ethylene dimethacrylate	[no description available]	medium	1	0	enoate ester	allergen; cross-linking reagent; polymerisation monomer
dodecyl 2-(n,n-dimethylamino)propionate	[no description available]	medium	1	0
peroxynitrous acid	[no description available]	medium	1	0	nitrogen oxoacid
oleanolic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; pentacyclic triterpenoid	plant metabolite
betulonic acid	[no description available]	medium	1	0	triterpenoid	anticoronaviral agent
vasoactive intestinal peptide	[no description available]	medium	1	0
methoprene	[no description available]	medium	1	0	isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate; isopropyl ester	juvenile hormone mimic
hydrazine	[no description available]	medium	2	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
rh-0345	[no description available]	medium	2	0	bisacylhydrazine insecticide; monochlorobenzenes
cycloheximide	[no description available]	medium	11	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
wortmannin	[no description available]	medium	3	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
clindamycin	[no description available]	medium	3	1
sulbactam	[no description available]	medium	1	1	penicillanic acids
sultamicillin	[no description available]	medium	1	1	penicillanic acid ester
hydroxyethyl methacrylate	[no description available]	medium	2	0	enoate ester	allergen; polymerisation monomer
tartaric acid	[no description available]	medium	1	0	tartaric acid	Escherichia coli metabolite
cyclosporine	[no description available]	medium	2	0
sorbitol	[no description available]	medium	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
n-methylaspartate	[no description available]	medium	8	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
mercaptoethanol	[no description available]	medium	2	0	alkanethiol; primary alcohol	geroprotector
ether	[no description available]	medium	3	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
fluorene	[no description available]	medium	1	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon
alphaxalone	[no description available]	medium	1	0	11-oxo steroid
brucine	[no description available]	medium	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound
samarium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
europium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
terbium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
dysprosium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
pyrazolone	[no description available]	medium	1	0
nartograstim	[no description available]	medium	1	0
homocysteine	[no description available]	high	4	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
ethane	[no description available]	medium	1	0	alkane; gas molecular entity	plant metabolite; refrigerant
butane	[no description available]	medium	1	0	alkane; gas molecular entity	food propellant; refrigerant
molybdenum	[no description available]	medium	1	0	chromium group element atom	micronutrient
2-isocyanatoethyl methacrylate	[no description available]	medium	1	0
cyanates	[no description available]	medium	1	0
cumene hydroperoxide	[no description available]	medium	1	0	peroxol	environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent
nadp	[no description available]	medium	4	0
3-hydroxycarbofuran	[no description available]	medium	1	0	1-benzofurans
2,5-hexanedione	[no description available]	medium	1	0	diketone; methyl ketone	human xenobiotic metabolite; neurotoxin
palladium	[no description available]	medium	1	0	metal allergen; nickel group element atom; platinum group metal atom
methionine sulfoximine	[no description available]	medium	1	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
4-aminomethylbenzoic acid	[no description available]	medium	1	0	benzoic acids
4-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
everolimus	[no description available]	medium	1	0	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor
sirolimus	[no description available]	medium	2	0	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
dynorphins	[no description available]	medium	2	0
diazooxonorleucine	[no description available]	medium	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
eflornithine	[no description available]	medium	1	0	alpha-amino acid; fluoroamino acid	trypanocidal drug
s-nitroso-n-acetylpenicillamine	[no description available]	medium	2	0	nitroso compound; nitrosothio compound	nitric oxide donor; vasodilator agent
lanthanide nitrate	[no description available]	medium	1	0
2-hydroxy-1-naphthaldehyde	[no description available]	medium	1	0	naphthaldehydes; naphthols
lanthanum	[no description available]	medium	1	0	f-block element atom; lanthanoid atom; scandium group element atom
fluorescein-5-isothiocyanate	[no description available]	medium	1	0	fluorescein isothiocyanate
n-hydroxysuccinimide s-acetylthioacetate	[no description available]	medium	1	0
boric acid	[no description available]	medium	1	0	boric acids	astringent
picrotoxinin	[no description available]	medium	2	0
4-aminocrotonic acid	[no description available]	medium	2	0
sulfur	[no description available]	medium	1	0	chalcogen; nonmetal atom	macronutrient
kn 62	[no description available]	medium	1	0	piperazines
caloreen	[no description available]	medium	1	0
phosphatidylcholines	[no description available]	medium	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
nickel nitrilotriacetic acid	[no description available]	medium	1	0
thiazolyl blue	[no description available]	medium	1	0	organic bromide salt	colorimetric reagent; dye
propidium	[no description available]	medium	1	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
oxazolidine	[no description available]	medium	1	0	oxazolidine
dextrothyroxine	[no description available]	medium	1	0
1-phenethylamine	[no description available]	medium	1	0	phenylethylamine	human metabolite
acetophenone	[no description available]	medium	1	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
salicylaldehyde	[no description available]	medium	1	0	hydroxybenzaldehyde	nematicide; plant metabolite
n-chlorotaurine	[no description available]	medium	1	0
ammonium chloride	[no description available]	medium	1	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
paraoxon	[no description available]	medium	1	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
rhodamine 6g	[no description available]	medium	1	0
texas red	[no description available]	medium	1	0	organic heteroheptacyclic compound	fluorochrome
xanthenes	[no description available]	medium	2	0	xanthene
camphor, (+-)-isomer	[no description available]	medium	1	0	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
mannich bases	[no description available]	medium	1	0
ascorbic acid	[no description available]	medium	2	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
fosfomycin	[no description available]	medium	3	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
diazepam	[no description available]	medium	4	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
4-n,n-dimethylaminoazobenzene-4'-sulfonyl chloride	[no description available]	medium	1	0
p-dimethylaminoazobenzene	[no description available]	medium	2	0	azobenzenes
veratridine	[no description available]	medium	4	0
veratrine	[no description available]	medium	2	0	alkaloid
2-amino-5-phosphonovalerate	[no description available]	medium	6	0	non-proteinogenic alpha-amino acid	NMDA receptor antagonist
cadmium	[no description available]	medium	1	0	cadmium molecular entity; zinc group element atom
gramicidin a	[no description available]	medium	3	0
substance p	[no description available]	medium	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
beta-endorphin	[no description available]	medium	1	0
oxytocin	[no description available]	medium	1	0	heterodetic cyclic peptide; peptide hormone	oxytocic; vasodilator agent
neurotensin	[no description available]	medium	1	0	peptide hormone	human metabolite; mitogen; neurotransmitter; vulnerary
pituitrin	[no description available]	medium	2	0
homocysteic acid	[no description available]	medium	1	0	homocysteic acid	NMDA receptor agonist
ferric bleomycin	[no description available]	medium	1	0
azauridine	[no description available]	medium	1	0	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite
azaribine	[no description available]	medium	1	0	acetate ester; N-glycosyl-1,2,4-triazine	antipsoriatic; prodrug
pyridoxine	[no description available]	medium	2	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydroalprenolol	[no description available]	medium	1	0
agreal	[no description available]	medium	1	0	sulfonamide
sulpiride	[no description available]	medium	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
bicuculline methochloride	[no description available]	medium	1	0
dendrobine	[no description available]	medium	1	0	indoles
propargylglycine	[no description available]	medium	1	0
technetium	[no description available]	medium	12	0	manganese group element atom
ferric chloride	[no description available]	medium	2	0	iron coordination entity	astringent; Lewis acid
ecdysterone	[no description available]	medium	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
antipyrine	[no description available]	medium	1	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ammonium borate	[no description available]	medium	2	0
3-fluoroalanine	[no description available]	medium	1	0
poly-o-acetylserine	[no description available]	medium	3	0	acetate ester; acetyl-L-serine; amino acid zwitterion	bacterial metabolite; Saccharomyces cerevisiae metabolite
5-hydroxytryptophan	[no description available]	medium	1	0	hydroxytryptophan	human metabolite; neurotransmitter
3-acetylpyridine adenine dinucleotide	[no description available]	medium	1	0	organic molecular entity
ubiquinone	[no description available]	medium	1	0
azides	[no description available]	medium	4	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
hydrogen sulfide	[no description available]	medium	1	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
carmofur	[no description available]	medium	1	0	organohalogen compound; pyrimidines
4'-phosphopantetheine	[no description available]	medium	2	0	pantetheine 4'-phosphate	prosthetic group
phosphopantothenic acid	[no description available]	medium	1	0	amidoalkyl phosphate	Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanosine triphosphate	[no description available]	medium	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
dihydrofolate	[no description available]	medium	1	0	dihydrofolic acids	Escherichia coli metabolite; mouse metabolite
riboflavin	[no description available]	medium	1	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
dihydropteroate	[no description available]	medium	1	0	pteroic acids
thiamine	[no description available]	medium	1	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
iodohippuric acid	[no description available]	medium	5	0	benzamides; N-acylglycine; organoiodine compound
udp-n-acetylmuramic acid pentapeptide	[no description available]	medium	1	0
uridine diphosphate n-acetylmuramic acid	[no description available]	medium	1	0	UDP-N-acetylmuramate(3-)
serine o-sulfate	[no description available]	medium	2	0	L-serine derivative; non-proteinogenic L-alpha-amino acid; O-sulfoamino acid
azauracil	[no description available]	medium	3	0	1,2,4-triazines; nucleobase analogue	antimetabolite
pralidoxime	[no description available]	medium	1	0	pyridinium ion	antidote to organophosphate poisoning; antidote to sarin poisoning; cholinergic drug; cholinesterase reactivator
glyoxylic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
kainic acid	[no description available]	medium	10	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	[no description available]	medium	2	0	naphthalenes; sulfonic acid derivative
quinoxalines	[no description available]	medium	4	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
propionamide	[no description available]	medium	1	0	monocarboxylic acid amide; primary fatty amide
n-pentanoic acid	[no description available]	medium	1	0	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
thiorphan	[no description available]	medium	2	0	N-acyl-amino acid
atrial natriuretic factor	[no description available]	medium	2	0	polypeptide
6-hydroxydopa	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid
domoic acid	[no description available]	medium	4	0	L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid	algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin
dichlobanil	[no description available]	medium	1	0	dichlorobenzene; nitrile	agrochemical; cellulose synthesis inhibitor; environmental contaminant; herbicide; xenobiotic
pipecolic acid	[no description available]	medium	8	0	piperidinemonocarboxylic acid
1-hexadecyl-2-acetyl-glycero-3-phosphocholine	[no description available]	medium	1	0	2-acetyl-1-alkyl-sn-glycero-3-phosphocholine	antihypertensive agent; beta-adrenergic antagonist; bronchoconstrictor agent; hematologic agent; vasodilator agent
phaclofen	[no description available]	medium	2	0	organophosphate oxoanion; zwitterion
cgp 35348	[no description available]	medium	1	0
2-hydroxysaclofen	[no description available]	medium	1	0	organochlorine compound
s-adenosylmethionine	[no description available]	medium	1	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
nocodazole	[no description available]	medium	1	0	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
colchicine	[no description available]	medium	2	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
arginyl-glycyl-aspartic acid	[no description available]	medium	4	0	oligopeptide
l 734217	[no description available]	medium	4	0
milacemide	[no description available]	medium	1	0
candoxatrilat	[no description available]	medium	1	0
4-butyrolactone	[no description available]	medium	1	0	butan-4-olide	metabolite; neurotoxin
pantolactone	[no description available]	medium	1	0	butan-4-olide	Saccharomyces cerevisiae metabolite
hepes	[no description available]	medium	1	0	HEPES; organosulfonic acid
phorbol 12,13-dibutyrate	[no description available]	medium	1	0	butyrate ester; phorbol ester; tertiary alpha-hydroxy ketone
tetradecanoylphorbol acetate	[no description available]	medium	6	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
ha 1004	[no description available]	medium	1	0	isoquinolines
6-cyano-7-nitroquinoxaline-2,3-dione	[no description available]	medium	3	0	quinoxaline derivative
2-propylamine	[no description available]	medium	1	0	alkylamines; primary aliphatic amine
bradykinin	[no description available]	medium	1	0	oligopeptide	human blood serum metabolite; vasodilator agent
icatibant	[no description available]	medium	1	0
eniluracil	[no description available]	medium	1	0	pyrimidone
rubidium	[no description available]	medium	2	0	alkali metal atom
quisqualic acid	[no description available]	medium	4	0	non-proteinogenic alpha-amino acid
sincalide	[no description available]	medium	1	0	oligopeptide
l 365260	[no description available]	medium	1	0	benzodiazepine
devazepide	[no description available]	medium	1	0	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug
pd 135158	[no description available]	medium	1	0
4,5-dioxovaleric acid	[no description available]	medium	1	0	dioxo monocarboxylic acid
iproniazid	[no description available]	medium	1	0	carbohydrazide; pyridines
sf 6,5	[no description available]	medium	1	0
pyrophosphate	[no description available]	medium	1	0	diphosphate ion
cryptating agent 222	[no description available]	medium	1	0
strontium radioisotopes	[no description available]	medium	1	0
3,3'-iminodipropionitrile	[no description available]	medium	1	0
cyanoacetic acid	[no description available]	medium	1	0	monocarboxylic acid
deuterium	[no description available]	medium	2	0	dihydrogen
linoleic acid	[no description available]	medium	1	0	octadecadienoic acid; omega-6 fatty acid	algal metabolite; Daphnia galeata metabolite; plant metabolite
acetone	[no description available]	medium	1	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
monensin	[no description available]	medium	2	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
ethylmaleimide	[no description available]	medium	3	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
dantrolene	[no description available]	medium	1	0	hydrazone; imidazolidine-2,4-dione	muscle relaxant; neuroprotective agent; ryanodine receptor antagonist
cyclic gmp	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein	[no description available]	medium	1	0
5-fluorouridine	[no description available]	medium	1	0	organofluorine compound; uridines	mutagen
bromobenzene	[no description available]	medium	1	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
4-bromophenylalanine	[no description available]	medium	1	0
arsenic acid	[no description available]	medium	1	0	arsenic oxoacid	Escherichia coli metabolite
vanadates	[no description available]	medium	3	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
arsenic	[no description available]	medium	1	0	metalloid atom; pnictogen	micronutrient
oxophenylarsine	[no description available]	medium	1	0	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
dimercaprol	[no description available]	medium	1	0	dithiol; primary alcohol	chelator
cycloleucine	[no description available]	medium	2	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
beta carotene	[no description available]	medium	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
carcinomedin	[no description available]	medium	1	0	vitamin D
retinol	[no description available]	medium	1	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
deltanit	[no description available]	medium	1	0	1-benzofurans; carbamate ester	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
uridine monophosphate	[no description available]	medium	2	0	pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
orotic acid	[no description available]	medium	3	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
fumonisin b1	[no description available]	medium	3	0	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
aconitic acid	[no description available]	medium	1	0	tricarboxylic acid
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	2	0
5-(4-nitrophenyl)-2,4-pentadienal	[no description available]	medium	1	0
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	2	0	stilbenoid
evans blue	[no description available]	medium	1	0	organic sodium salt	fluorochrome; histological dye; sodium channel blocker; teratogenic agent
hypochlorous acid	[no description available]	medium	3	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
ursodeoxycholic acid	[no description available]	medium	3	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
bilirubin	[no description available]	medium	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
ursodoxicoltaurine	[no description available]	medium	1	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
glycoursodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate; N-acylglycine	human blood serum metabolite; neuroprotective agent
nitroarginine	[no description available]	medium	1	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
ethanolamine o-sulfate	[no description available]	medium	2	0
salicylates	[no description available]	medium	2	0	monohydroxybenzoate	plant metabolite
pentafluorobenzyl bromide	[no description available]	medium	1	0	benzyl bromides; fluorobenzenes
fluorobenzenes	[no description available]	medium	1	0	monofluorobenzenes	NMR chemical shift reference compound
pervanadate	[no description available]	medium	1	0
valproic acid	[no description available]	medium	3	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
benzamidine	[no description available]	medium	1	0	benzenes; carboxamidine	serine protease inhibitor
raffinose	[no description available]	medium	1	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
calcimycin	[no description available]	medium	4	0	benzoxazole
sulfuric acid	[no description available]	medium	1	0	sulfur oxoacid	catalyst
hydrochloric acid	[no description available]	medium	3	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
tetrandrine	[no description available]	medium	1	0	bisbenzylisoquinoline alkaloid; isoquinolines
fura-2	[no description available]	medium	2	0
l 767679	[no description available]	medium	4	0
4,4'-diaminodiphenylmethane	[no description available]	medium	1	0	aromatic amine	allergen; carcinogenic agent
adenosine diphosphate	[no description available]	medium	2	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	[no description available]	medium	1	0	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
pimagedine	[no description available]	medium	1	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
maltol	[no description available]	medium	1	0	4-pyranones	metabolite
3-methylcholanthrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
5-(n-4-chlorobenzyl)-n-(2',4'-dimethyl)benzamil	[no description available]	medium	1	0
amiloride	[no description available]	medium	2	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
luminol	[no description available]	medium	1	0
glucose, (beta-d)-isomer	[no description available]	medium	2	0	D-glucopyranose	epitope; mouse metabolite
cryptophycin	[no description available]	medium	1	0
n-methylpyrrole	[no description available]	medium	1	0	pyrroles
1-methylimidazole	[no description available]	medium	1	0	imidazoles
n-acetylsphingosine	[no description available]	medium	1	0	N-acylsphingosine
diflubenzuron	[no description available]	medium	2	0	benzoylurea insecticide; monochlorobenzenes	insect sterilant
hexafluoron	[no description available]	medium	2	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organochlorine insecticide; organofluorine insecticide
flufenoxuron	[no description available]	medium	2	0	(trifluoromethyl)benzenes; benzoylurea insecticide; difluorobenzene; monochlorobenzenes; monofluorobenzenes	mite growth regulator
thiocyanate	[no description available]	medium	1	0	pseudohalide anion; sulfur molecular entity	human metabolite
potassium cyanide	[no description available]	medium	1	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
uridine diphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
galactose	[no description available]	medium	1	0
carboplatin	[no description available]	medium	1	0
l 738167	[no description available]	medium	1	0
3-methoxytyrosine	[no description available]	medium	1	0	tyrosine derivative
deoxyuridine triphosphate	[no description available]	medium	1	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite
thymidine 5'-triphosphate	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
pd 98059	[no description available]	medium	1	0	aromatic amine; monomethoxyflavone	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
5-(2-bromovinyl)uracil	[no description available]	medium	1	0
bromouracil	[no description available]	medium	1	0	nucleobase analogue; pyrimidines	mutagen
staurosporine	[no description available]	medium	1	0	ammonium ion derivative
8-bromo cyclic adenosine monophosphate	[no description available]	medium	1	0	3',5'-cyclic purine nucleotide; adenyl ribonucleotide; organobromine compound	antidepressant; protein kinase agonist
arachidonyltrifluoromethane	[no description available]	medium	1	0	fatty acid derivative; ketone; olefinic compound; organofluorine compound	EC 3.1.1.4 (phospholipase A2) inhibitor
ah 6809	[no description available]	medium	1	0	xanthones
l 745337	[no description available]	medium	1	0
orbofiban	[no description available]	medium	1	0
palmitic acid	[no description available]	medium	2	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
pregnenolone sulfate	[no description available]	medium	1	0	steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite
pregnenolone	[no description available]	medium	1	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
lithium chloride	[no description available]	medium	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
omega-n-methylarginine	[no description available]	medium	1	0	amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid
4-iodophenylalanine	[no description available]	medium	1	0	4-iodophenylalanine
3-iodo-alpha-methyltyrosine	[no description available]	medium	2	0
racemetirosine	[no description available]	medium	1	0
ibotenic acid	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid	neurotoxin
pentetic acid	[no description available]	medium	4	0	pentacarboxylic acid	copper chelator
butyramide	[no description available]	medium	1	0	butanamides; primary fatty amide
n-acetylglucosaminylasparagine	[no description available]	medium	1	0	amino acid zwitterion; glucosaminylamine; N(4)-glycosyl-L-asparagine
3-chloropropionamide	[no description available]	medium	1	0
isovaleramide	[no description available]	medium	1	0
acetylglucosamine	[no description available]	medium	1	0	N-acetyl-D-glucosamine	epitope
isovaleric acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite
sulfites	[no description available]	medium	1	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
indoline	[no description available]	medium	1	0	indoles
methoxyamine	[no description available]	medium	1	0	organooxygen compound
n-methylhydroxylamine	[no description available]	medium	1	0
aniline	[no description available]	medium	1	0	anilines; primary arylamine
indole	[no description available]	medium	1	0	indole; polycyclic heteroarene	Escherichia coli metabolite
benzimidazole	[no description available]	medium	1	0	benzimidazole; polycyclic heteroarene
pyrethrins	[no description available]	medium	1	0
ninhydrin	[no description available]	medium	1	0	aromatic ketone; beta-diketone; indanones; ketone hydrate	colour indicator; human metabolite
7-o-(2,6-dideoxy-2-fluoro-alpha-talopyranosyl)adriamycinone- 14-beta-alaniate hydrochloride	[no description available]	medium	1	0
1-anilino-8-naphthalenesulfonate	[no description available]	medium	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
hydrogen cyanide	[no description available]	medium	1	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
pyrrolidonecarboxylic acid	[no description available]	medium	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
piperidine-4-sulfonic acid	[no description available]	medium	1	0
isethionic acid	[no description available]	medium	2	0	alkanesulfonic acid	human metabolite
hydroxyurea	[no description available]	medium	1	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
zileuton	[no description available]	medium	1	0	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
dinitrofluorobenzene	[no description available]	medium	1	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
flucytosine	[no description available]	medium	1	1	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
octopamine	[no description available]	medium	1	0	phenylethanolamines; tyramines	neurotransmitter
carbidopa	[no description available]	medium	1	0
trypan blue	[no description available]	medium	1	0
homoserine	[no description available]	high	1	0	amino acid zwitterion; homoserine	algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
sodium oxybate	[no description available]	medium	1	0
beta-leucine	[no description available]	high	2	0	beta-amino acid	human metabolite
fropenem	[no description available]	medium	1	0	faropenem
sodium glutamate	[no description available]	medium	1	0	monosodium glutamate	flavouring agent
hexamethonium	[no description available]	medium	1	0	quaternary ammonium salt
daba	[no description available]	medium	1	0
ethylisopropylamiloride	[no description available]	medium	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
ethanolamine	[no description available]	medium	1	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
sodium cyanoborohydride	[no description available]	medium	1	0
n-benzoylalanine	[no description available]	medium	1	0	N-acyl-L-alanine; N-benzoylalanine	metabolite
1,1'-ethylidene bis(tryptophan)	[no description available]	medium	1	0
3-(phenylamino)alanine	[no description available]	medium	1	0
carbachol	[no description available]	medium	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
3-aminocyclohexanecarboxylic acid	[no description available]	medium	2	0
naringin	[no description available]	medium	1	0	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite
aminoethylphosphonic acid	[no description available]	medium	1	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
3-amino-3-phenylpropionic acid	[no description available]	medium	1	0	amino acid zwitterion; beta-amino acid
n-acetylhistidine	[no description available]	medium	1	0	L-histidine derivative; N-acetyl-L-amino acid; N-acetylhistidine	animal metabolite
acetaldehyde	[no description available]	medium	1	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
2,4-dinitrophenol	[no description available]	medium	1	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
5,6-dihydrothymine	[no description available]	medium	1	0	pyrimidone	human metabolite; metabolite; mouse metabolite
roseotoxin b	[no description available]	medium	1	0
destruxin b	[no description available]	medium	1	0
ureidosuccinic acid	[no description available]	medium	1	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
uridine triphosphate	[no description available]	medium	2	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
5-fluorouridine 5'-triphosphate	[no description available]	medium	1	0
hypusine	[no description available]	medium	1	0
sodium sulfate	[no description available]	medium	1	0	inorganic sodium salt
n-methylglucosamine	[no description available]	medium	1	0
rhamnose	[no description available]	medium	1	0	L-rhamnose
lactulose	[no description available]	medium	1	0
9,10-dimethyl-1,2-benzanthracene	[no description available]	medium	1	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
p-aminohippuric acid	[no description available]	medium	2	0	N-acylglycine	Daphnia magna metabolite
flunitrazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative
glycochenodeoxycholic acid	[no description available]	medium	1	0	bile acid glycine conjugate	human metabolite
chenodeoxycholic acid	[no description available]	medium	2	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
technetium tc 99m pentetate	[no description available]	medium	2	0
benzamide	[no description available]	medium	1	0	benzamides
glucosamine 6-phosphate	[no description available]	medium	1	0	2-amino-2-deoxy-D-glucopyranose 6-phosphate	human metabolite; Saccharomyces cerevisiae metabolite
phenylisothiocyanate	[no description available]	medium	1	0	isothiocyanate	allergen; reagent
phentolamine	[no description available]	medium	1	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
2-sulfanilic acid	[no description available]	medium	2	0	aminobenzenesulfonic acid
gallopamil	[no description available]	medium	1	0	benzenes; organic amino compound
cimetidine	[no description available]	medium	1	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
gabaculine	[no description available]	medium	2	0	5-aminocyclohexa-1,3-diene-1-carboxylic acid	bacterial metabolite; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
s-acetylmercaptosuccinic anhydride	[no description available]	medium	1	0
alpha-aminobutyric acid	[no description available]	medium	1	0	alpha-aminobutyric acid; D-alpha-amino acid
adenine	[no description available]	medium	1	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
guanine	[no description available]	medium	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cytosine	[no description available]	medium	1	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cytidine	[no description available]	medium	2	0	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
chloramphenicol	[no description available]	medium	1	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
cholecystokinin	[no description available]	medium	1	0
technetium tc 99m sulfur colloid	[no description available]	medium	1	0
captopril	[no description available]	medium	2	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
sodium borohydride	[no description available]	medium	1	0	inorganic sodium salt; metal tetrahydridoborate
pyridoxamine phosphate	[no description available]	medium	1	0	aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ozone	[no description available]	medium	1	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
technetium tc 99m mertiatide	[no description available]	medium	1	0
potassium thiocyanate	[no description available]	medium	1	0	potassium salt
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid	[no description available]	medium	1	0
dynorphin (1-8)	[no description available]	medium	1	0
dehydroalanine	[no description available]	high	1	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
4-chloromercuribenzenesulfonate	[no description available]	medium	1	0	arenesulfonic acid; arylmercury compound
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
aminopterin	[no description available]	medium	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
4-amino-3-phenylbutyric acid	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
4-amino-5-hexynoic acid	[no description available]	medium	1	0
prazosin	[no description available]	medium	1	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
4-aminopyridine	[no description available]	medium	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
trimethylenediamine	[no description available]	medium	1	0	alkane-alpha,omega-diamine	human metabolite; mouse metabolite; reagent
alanylalanine	[no description available]	medium	1	0	dipeptide
harmaline	[no description available]	medium	1	0	harmala alkaloid	oneirogen
picibanil	[no description available]	medium	1	0	penicillinate anion
cephalothin	[no description available]	medium	1	0	azabicycloalkene; beta-lactam antibiotic allergen; carboxylic acid; cephalosporin; semisynthetic derivative; thiophenes	antibacterial drug; antimicrobial agent
2-amino-7-phosphonoheptanoic acid	[no description available]	medium	2	0
2,3-piperidinedicarboxylic acid	[no description available]	medium	2	0
nifedipine	[no description available]	medium	1	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
tetraphenylphosphonium	[no description available]	medium	1	0	heteroorganic entity; phosphorus molecular entity; polyatomic cation
thymidine	[no description available]	medium	1	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
gallium	[no description available]	medium	1	0	boron group element atom
disulfiram	[no description available]	medium	1	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
deoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
glycylglycine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide	human metabolite
3-hydroxyisobutyric acid	[no description available]	medium	1	0	3-hydroxy monocarboxylic acid
2-ethylhydracrylic acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; hydroxy fatty acid; short-chain fatty acid	human metabolite
phenytoin	[no description available]	medium	1	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
amobarbital	[no description available]	medium	1	0	barbiturates
trazodone hydrochloride	[no description available]	medium	2	0	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
isomethyleugenol	[no description available]	medium	5	0	isomethyleugenol
eye	[no description available]	medium	4	0
rebaudioside a	[no description available]	medium	1	0	beta-D-glucoside; rebaudioside; tetracyclic diterpenoid	sweetening agent
egg white	[no description available]	medium	1	0
jaw	[no description available]	medium	1	0	indolecarboxamide
torpedo	[no description available]	medium	1	0
sabinene	[no description available]	medium	1	0	thujene	plant metabolite
dactinomycin	[no description available]	medium	1	0
carbon monoxide	[no description available]	low	0	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
tyramine	[no description available]	low	0	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
3-tyramine	[no description available]	low	0	0	primary amino compound; tyramines	human urinary metabolite; neurotransmitter
pterostilbene	[no description available]	low	0	0	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger
anandamide	[no description available]	low	0	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
glafenine	[no description available]	low	0	0	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
medroxyprogesterone acetate	[no description available]	low	0	0	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
2-furoic acid	[no description available]	low	0	0	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite
succinyl-coenzyme a	[no description available]	low	0	0	omega-carboxyacyl-CoA	Escherichia coli metabolite; inhibitor; mouse metabolite
limonin	[no description available]	low	0	0	epoxide; furans; hexacyclic triterpenoid; lactone; limonoid; organic heterohexacyclic compound	inhibitor; metabolite; volatile oil component
blister	[no description available]	low	0	0	cyclic ketone; pyrroloquinoline; tertiary alcohol; tertiary alpha-hydroxy ketone	inhibitor
parthenolide	[no description available]	low	0	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
ARS-1620	[no description available]	low	0	0	quinazolines	antineoplastic agent; antiviral agent; inhibitor
bucladesine	[no description available]	low	0	0	3',5'-cyclic purine nucleotide; butanamides; butyrate ester	agonist; cardiotonic drug; vasodilator agent
acetylcarnitine	[no description available]	low	0	0	O-acylcarnitine	human metabolite
2-oxo-3-methylvalerate	[no description available]	low	0	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite
alpha-ketoisovalerate	[no description available]	low	0	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite; Saccharomyces cerevisiae metabolite
2,3-diphosphoglycerate	[no description available]	low	0	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
3-hydroxykynurenine	[no description available]	low	0	0	hydroxykynurenine	human metabolite
3-oxoadipic acid	[no description available]	low	0	0	dicarboxylic fatty acid; oxo dicarboxylic acid	bacterial xenobiotic metabolite; human metabolite
3-mercaptopyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; thiol	antidote to cyanide poisoning; Escherichia coli metabolite; human metabolite; mouse metabolite
3-phenylpropionic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
4-hydroxyphenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
isocaproaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde	human metabolite; mouse metabolite
acetyl phosphate	[no description available]	low	0	0	acyl monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
allantoin	[no description available]	low	0	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
anthranilic acid	[no description available]	low	0	0	aminobenzoic acid	human metabolite; mouse metabolite
betaine aldehyde	[no description available]	low	0	0	quaternary ammonium ion	Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
1-butanol	[no description available]	low	0	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
octanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
dihydrolipoic acid	[no description available]	low	0	0	thio-fatty acid	antioxidant; human metabolite; neuroprotective agent
methylmalonic acid	[no description available]	low	0	0	C4-dicarboxylic acid	human metabolite
pyrrolidonecarboxylic acid	[no description available]	low	0	0	oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid	human metabolite
3,4-dihydroxyphenylacetic acid	[no description available]	low	0	0	catechols; dihydroxyphenylacetic acid	human metabolite
alpha-keto-delta-guanidinovaleric acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
dihydrolipoamide	[no description available]	low	0	0	dithiol; monocarboxylic acid amide	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydroxyacetone phosphate	[no description available]	low	0	0	glycerone phosphates; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydroxyacetone	[no description available]	low	0	0	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dimethylglycine	[no description available]	medium	0	0	amino acid zwitterion; N-methyl-amino acid; N-methylglycines	Daphnia magna metabolite; human metabolite; mouse metabolite
5,6-dimethylbenzimidazole	[no description available]	low	0	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
glutaric acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	Daphnia magna metabolite; human metabolite
alpha-glycerophosphoric acid	[no description available]	low	0	0	glycerol monophosphate	algal metabolite; human metabolite
glycolaldehyde	[no description available]	low	0	0	glycolaldehydes	fundamental metabolite; human metabolite
homogentisic acid	[no description available]	low	0	0	dihydroxyphenylacetic acid; hydroquinones	human metabolite; plant metabolite
indole-3-acetaldehyde	[no description available]	low	0	0	indoleacetaldehyde	bacterial metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
indoleacetic acid	[no description available]	low	0	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
itaconic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite
potassium	[no description available]	low	0	0	alkali metal cation; elemental potassium; monoatomic monocation; monovalent inorganic cation	cofactor; human metabolite
lipoamide	[no description available]	low	0	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methylmercaptan	[no description available]	low	0	0	alkanethiol	human metabolite; Saccharomyces cerevisiae metabolite
melatonin	[no description available]	low	0	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
n-acetylserotonin	[no description available]	low	0	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
n-methylphenylethanolamine	[no description available]	low	0	0	alkaloid; phenylethanolamines	human metabolite; plant metabolite
n'-acetylspermine	[no description available]	low	0	0	acetamides; acetylspermine	human metabolite
nitrites	[no description available]	low	0	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
hydroxypyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; 3-hydroxy monocarboxylic acid; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite
4-hydroxyphenylpyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; phenols	human metabolite
hexadecanal	[no description available]	low	0	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetic acid	[no description available]	low	0	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
2-hydroxyphenethylamine	[no description available]	low	0	0	phenylethanolamines	human metabolite
phenethylamine	[no description available]	low	0	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
phosphoric acid	[no description available]	low	0	0	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
phosphorylcholine	[no description available]	low	0	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
phosphorylethanolamine	[no description available]	low	0	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
quinolinic acid	[no description available]	low	0	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
2-(4-methyl-1,3-thiazol-5-yl)ethanol	[no description available]	low	0	0	1,3-thiazoles; primary alcohol	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
tryptamine	[no description available]	low	0	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
vanilmandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
perillic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid	antineoplastic agent; human metabolite; mouse metabolite
meglutol	[no description available]	low	0	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
homovanillic acid	[no description available]	low	0	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
3-hydroxy-4-methoxyphenethylamine	[no description available]	low	0	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	human metabolite; rat metabolite
5-methoxytryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
cetyl alcohol	[no description available]	low	0	0	hexadecanol; long-chain primary fatty alcohol	algal metabolite; flavouring agent; human metabolite; plant metabolite
4-cresol	[no description available]	low	0	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
debrisoquin	[no description available]	low	0	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
nordazepam	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
2,5-dihydroxybenzoic acid	[no description available]	low	0	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
tele-methylhistamine	[no description available]	low	0	0	imidazoles; primary amino compound	human metabolite; mouse metabolite
indolepropionic acid	[no description available]	low	0	0	indol-3-yl carboxylic acid	auxin; human metabolite; plant metabolite
3-phenyllactic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid	human metabolite
2-amino-3-phosphonopropionic acid	[no description available]	low	0	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
2-phenylglycine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid	human metabolite
oxidopamine	[no description available]	low	0	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
sebacic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite
succinylacetone	[no description available]	low	0	0	beta-diketone; dioxo monocarboxylic acid	human metabolite
retinoic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; retinoid	human metabolite
corticosterone	[no description available]	low	0	0	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
estriol	[no description available]	low	0	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
aldosterone	[no description available]	low	0	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
estrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	low	0	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
dehydroepiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
androstenedione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
cytidine monophosphate	[no description available]	low	0	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
17-alpha-hydroxyprogesterone	[no description available]	low	0	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
n-pentanol	[no description available]	low	0	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
taurocholic acid	[no description available]	low	0	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
skatole	[no description available]	low	0	0	methylindole	human metabolite; mammalian metabolite
quinaldic acid	[no description available]	low	0	0	quinolinemonocarboxylic acid	human metabolite; Saccharomyces cerevisiae metabolite
3-methylpentane	[no description available]	low	0	0	alkane; volatile organic compound	allelochemical; human metabolite; non-polar solvent
methylcyclopentane	[no description available]	low	0	0	cycloalkane; volatile organic compound	human metabolite; plant metabolite
phosphoribosyl pyrophosphate	[no description available]	low	0	0	5-O-phosphono-D-ribofuranosyl diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
trehalose	[no description available]	low	0	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methylcyclohexane	[no description available]	low	0	0	cycloalkane; volatile organic compound	aprotic solvent; human metabolite; plant metabolite
undecanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	antifungal agent; human metabolite
1-tridecanol	[no description available]	low	0	0	long-chain primary fatty alcohol; tridecanol	bacterial metabolite; human metabolite; plant metabolite
stearyl alcohol	[no description available]	low	0	0	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
acetol	[no description available]	low	0	0	methyl ketone; primary alcohol; primary alpha-hydroxy ketone; propanones	Escherichia coli metabolite; human metabolite; mouse metabolite
2-methylbutanoic acid	[no description available]	low	0	0	methylbutyric acid	bacterial metabolite; human metabolite
hexanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
isopropyl palmitate	[no description available]	low	0	0	fatty acid ester; isopropyl ester	human metabolite
20-alpha-dihydroprogesterone	[no description available]	low	0	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
dibenzo(a,l)pyrene	[no description available]	low	0	0	ortho- and peri-fused polycyclic arene	human metabolite; mutagen
diiodotyrosine	[no description available]	low	0	0	diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite
3-methoxytyrosine	[no description available]	low	0	0	aromatic L-alpha-amino acid zwitterion; L-tyrosine derivative; monomethoxybenzene; non-proteinogenic L-alpha-amino acid	human metabolite
4-hydroxyphenyllactic acid	[no description available]	low	0	0	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite
lithocholic acid	[no description available]	low	0	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
nandrolone	[no description available]	low	0	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
4-methylcatechol	[no description available]	low	0	0	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite
homocystine	[no description available]	medium	0	0	amino acid zwitterion; homocystines	human metabolite
glycocholic acid	[no description available]	low	0	0	bile acid glycine conjugate	human metabolite
epitestosterone	[no description available]	low	0	0	17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen antagonist; human metabolite
indican	[no description available]	low	0	0	aryl sulfate; indoles	human metabolite
suberic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
hexadecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
androstenediol	[no description available]	low	0	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
dihydrotestosterone	[no description available]	low	0	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
pyridoxamine dihydrochloride	[no description available]	low	0	0	hydrochloride; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
aceturic acid	[no description available]	low	0	0	N-acetyl-amino acid; N-acylglycine	human metabolite
myristic acid	[no description available]	low	0	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
lignoceric acid	[no description available]	low	0	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component
18-hydroxycorticosterone	[no description available]	low	0	0	11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
2-hydroxybutyric acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; hydroxybutyric acid	algal metabolite; human metabolite
3-methylhexane	[no description available]	low	0	0	alkane; volatile organic compound	human metabolite
ethylmalonic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
galactitol	[no description available]	low	0	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
2-hydroxyphenylacetic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite
5-methyl-2-furfural	[no description available]	low	0	0	aldehyde; furans	EC 2.2.1.6 (acetolactate synthase) inhibitor; flavouring agent; human metabolite; Maillard reaction product
2-hexanol	[no description available]	low	0	0	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical
1,1,3,3-tetramethylurea	[no description available]	low	0	0	ureas	human metabolite
isocaproic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; medium-chain fatty acid; methyl-branched fatty acid	human metabolite
dehydroepiandrosterone sulfate	[no description available]	low	0	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
dodecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; human metabolite
deoxyuridine	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2'-deoxyadenosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cytidine diphosphate choline	[no description available]	low	0	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
1-pentene-3-one	[no description available]	low	0	0	enone	flavouring agent; genotoxin; human metabolite; plant metabolite
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	low	0	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
9,10-epoxystearic acid	[no description available]	low	0	0	epoxystearic acid	human metabolite
5-hydroxyindole	[no description available]	low	0	0	hydroxyindoles	human metabolite
beta-hydroxymyristic acid	[no description available]	low	0	0	3-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; long-chain fatty acid	bacterial metabolite; human metabolite
perillaldehyde	[no description available]	low	0	0	aldehyde; olefinic compound	human metabolite; mouse metabolite; volatile oil component
tricosanoic acid	[no description available]	low	0	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia magna metabolite; human metabolite; plant metabolite
uridine diphosphate glucuronic acid	[no description available]	low	0	0	UDP-D-glucuronic acid	Escherichia coli metabolite; human metabolite; mouse metabolite
tetrahydropapaveroline	[no description available]	low	0	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	human metabolite
dithiothreitol	[no description available]	low	0	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
cyclic cmp	[no description available]	low	0	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
furoylglycine	[no description available]	low	0	0	furans; N-acylglycine	human metabolite
3,3',5'-triiodothyronine	[no description available]	low	0	0	iodothyronine	human metabolite
limonene	[no description available]	low	0	0	cycloalkene; p-menthadiene	human metabolite
urobilinogen	[no description available]	low	0	0	bilanes	human metabolite
estetrol	[no description available]	low	0	0	15alpha-hydroxy steroid; 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid; steroid hormone	estrogen receptor agonist; estrogen; human metabolite; human xenobiotic metabolite; oral contraceptive
iron	[no description available]	low	0	0	divalent metal cation; iron cation; monoatomic dication	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
1-methyladenosine	[no description available]	low	0	0	methyladenosine	human metabolite
iodine	[no description available]	low	0	0	halide anion; monoatomic iodine	human metabolite
dimethylacetamide	[no description available]	low	0	0	acetamides; monocarboxylic acid amide	human metabolite
s-adenosylmethionine	[no description available]	low	0	0	sulfonium betaine	human metabolite
acetylgalactosamine	[no description available]	low	0	0	N-acetyl-D-hexosamine; N-acetylgalactosamine	Escherichia coli metabolite; human metabolite; mouse metabolite
norsalsolinol	[no description available]	low	0	0	isoquinolinol	animal metabolite; apoptosis inducer; human metabolite; marine metabolite
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolinol; tertiary amino compound	human metabolite; neurotoxin; rat metabolite
xanthosine	[no description available]	low	0	0	purines D-ribonucleoside; xanthosines	Escherichia coli metabolite; human metabolite; mouse metabolite
1,5-anhydroglucitol	[no description available]	low	0	0	anhydro sugar	human metabolite
5-methylcytosine	[no description available]	low	0	0	methylcytosine; pyrimidines	human metabolite
homocitrulline	[no description available]	medium	0	0	amino acid zwitterion; L-lysine derivative; non-proteinogenic L-alpha-amino acid; ureas	human metabolite; mouse metabolite
cholesteryl sulfate	[no description available]	low	0	0	steroid sulfate	human metabolite
2'-deoxycytidine 5'-triphosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
25-hydroxycholesterol	[no description available]	low	0	0	25-hydroxy steroid; oxysterol	human metabolite
aica ribonucleotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
n-acetylserine	[no description available]	low	0	0	acetyl-L-serine; N-acetyl-L-amino acid	human metabolite
o-4-methylthymine	[no description available]	low	0	0	aromatic ether; methylthymine	human metabolite
tetraiodothyroacetic acid	[no description available]	low	0	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone
lathosterol	[no description available]	low	0	0	3beta-sterol; C27-steroid; cholestanoid; Delta(7)-sterol	human metabolite; mouse metabolite
2-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
parabanic acid	[no description available]	low	0	0	hydracid; imidazolidinone	human metabolite
n-acetyl-l-arginine	[no description available]	low	0	0	N-acetyl-L-amino acid	human metabolite
cystine	[no description available]	low	0	0	cystine zwitterion; cystine; L-cysteine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
6-methyladenine	[no description available]	low	0	0	6-alkylaminopurine; methyladenine	human metabolite
phenylacetylglycine	[no description available]	low	0	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
hordenine	[no description available]	low	0	0	phenethylamine alkaloid	human metabolite; mouse metabolite
4-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
glutaurine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite
plasmenylserine	[no description available]	low	0	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ubiquinone-o	[no description available]	low	0	0	ubiquinones	Escherichia coli metabolite; human metabolite
n-acetylhistamine	[no description available]	low	0	0	acetamides; imidazoles	human metabolite
indole-3-carboxylic acid	[no description available]	low	0	0	indol-3-yl carboxylic acid	bacterial metabolite; human metabolite
5-hydroxymethylcytosine	[no description available]	low	0	0	aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone	human metabolite; mouse metabolite
n-acetylglutamic acid	[no description available]	low	0	0	N-acetyl-L-amino acid; N-acyl-L-glutamic acid	human metabolite; Saccharomyces cerevisiae metabolite
2,5-dihydroxybenzaldehyde	[no description available]	low	0	0	dihydroxybenzaldehyde	human metabolite; mouse metabolite; Penicillium metabolite
2-ketopentanoic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; oxopentanoic acid	human metabolite
hydroxyindoleacetaldehyde	[no description available]	low	0	0	hydroxyindoles; indoleacetaldehyde	human metabolite; mouse metabolite
leucylleucine	[no description available]	low	0	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human metabolite; Mycoplasma genitalium metabolite
5-hydroxymethyluracil	[no description available]	low	0	0	primary alcohol; pyrimidone	human metabolite
12-hydroxydodecanoic acid	[no description available]	low	0	0	omega-hydroxy-medium-chain fatty acid	human metabolite
decane-1,2-diol	[no description available]	low	0	0	glycol; volatile organic compound	anti-inflammatory agent; antioxidant; human metabolite
4-nitrophenyl sulfate	[no description available]	low	0	0	aryl sulfate; C-nitro compound	human metabolite
glucose-1,6-bisphosphate	[no description available]	low	0	0	D-glucose 1,6-bisphosphate	Escherichia coli metabolite; human metabolite
biotinamide	[no description available]	low	0	0	biotins; monocarboxylic acid amide	human metabolite
3,4-dihydroxymandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; catechols	antioxidant; drug metabolite; human metabolite; mouse metabolite
3-hydroxymandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; phenols	human metabolite
n-acetylalanine	[no description available]	low	0	0	L-alanine derivative; N-acetyl-L-amino acid	human metabolite; Saccharomyces cerevisiae metabolite
17-alpha-hydroxypregnenolone	[no description available]	low	0	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
cholest-4-en-3-one	[no description available]	low	0	0	3-oxo-Delta(4) steroid; cholestanoid	human metabolite; plant metabolite
mephentermine	[no description available]	low	0	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
2-pinene oxide	[no description available]	low	0	0	epoxide; pinane monoterpenoid	bacterial xenobiotic metabolite; fragrance; human metabolite
3-hydroxybutyric acid	[no description available]	low	0	0	3-hydroxybutyric acid; ketone body	fungal metabolite; human metabolite; pheromone
L-2-aminoadipic acid	[no description available]	low	0	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
testosterone acetate	[no description available]	low	0	0	3-oxo-Delta(4) steroid; androstanoid; sterol ester	human metabolite
phenylacetylglutamine	[no description available]	low	0	0	N(2)-phenylacetylglutamine	human metabolite
5beta-pregnane-3,20-dione	[no description available]	low	0	0	20-oxo steroid; 3-oxo-5beta-steroid; C21-steroid	human metabolite; mouse metabolite
zymosterol	[no description available]	low	0	0	3beta-sterol; cholestanoid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
brexanolone	[no description available]	low	0	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
5-alpha-dihydroprogesterone	[no description available]	low	0	0	20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone	human metabolite; progestogen
n-epsilon-acetyllysine	[no description available]	medium	0	0	acetyl-L-lysine; amino acid zwitterion; N(6)-acyl-L-lysine	human metabolite
2-hydroxyhexadecanoic acid	[no description available]	low	0	0	2-hydroxy fatty acid; hydroxypalmitic acid	human metabolite
19-oxo-delta(4) androstene-3,17-dione	[no description available]	low	0	0	17-oxo steroid; 19-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid; steroid aldehyde	human metabolite
gamma-glutamylglutamate	[no description available]	low	0	0	dipeptide	human metabolite
indole-3-lactic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; indol-3-yl carboxylic acid	human metabolite
n(alpha)-acetyllysine	[no description available]	medium	0	0	acetyl-L-lysine; amino acid zwitterion	human metabolite
glycyl-l-phenylalanine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	human metabolite; metabolite
gamma-glutamyltyrosine	[no description available]	low	0	0	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite
cholest-5-ene-3 beta,26-diol	[no description available]	low	0	0	26-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
2-hydroxyisovaleric acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid	human metabolite
aminomalonic acid	[no description available]	low	0	0	amino dicarboxylic acid	Daphnia magna metabolite; human metabolite
zymostenol	[no description available]	low	0	0	3beta-sterol; cholestanoid	human metabolite; mouse metabolite
16-hydroxydehydroepiandrosterone	[no description available]	low	0	0	16alpha-hydroxy steroid; 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid; secondary alpha-hydroxy ketone	human metabolite; mouse metabolite
cortisol 21-sulfate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; cortisol ester; steroid sulfate; tertiary alpha-hydroxy ketone	human metabolite
1,2-distearoylphosphatidylethanolamine	[no description available]	low	0	0	phosphatidylethanolamine zwitterion; phosphatidylethanolamine	human metabolite
hydrogen sulfite	[no description available]	low	0	0	sulfur oxoanion	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
aflatoxin b1-2,3-oxide	[no description available]	low	0	0	aflatoxin	human metabolite
fructose 2,6-diphosphate	[no description available]	low	0	0	D-fructofuranose 2,6-bisphosphate	human metabolite; mouse metabolite
3,3'-diiodothyronine	[no description available]	medium	0	0	3,3'-diiodothyronine; amino acid zwitterion	human metabolite
propionylcarnitine	[no description available]	low	0	0	O-acylcarnitine	analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug
testosterone 17-glucosiduronate	[no description available]	low	0	0	3-oxo steroid; beta-D-glucosiduronic acid; enone; steroid glucosiduronic acid	human metabolite
3-chloro-L-tyrosine	[no description available]	low	0	0	chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid	biomarker; human metabolite
androsterone glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite
selenomethylselenocysteine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; selenocysteines	antineoplastic agent; human metabolite
1,5(10)-estradiene-3,4,17-trione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(1) steroid; orthoquinones	human metabolite
s-sulphocysteine	[no description available]	low	0	0	organic thiosulfate; S-substituted L-cysteine	human metabolite; plant metabolite
estrone-3-glucuronide	[no description available]	low	0	0	17-oxo steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; mouse metabolite
3,4-dihydroxyphenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
caprylates	[no description available]	low	0	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
1-hydroxyethyl radical	[no description available]	low	0	0	organic anion	human metabolite; Saccharomyces cerevisiae metabolite
(20s)-20-hydroxycholesterol	[no description available]	low	0	0	20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	human metabolite; mouse metabolite
deoxyhypusine	[no description available]	low	0	0	L-lysine derivative; non-proteinogenic L-alpha-amino acid	human metabolite
3,7,12-trihydroxycoprostanic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; cholestanoic acid; hydroxy monocarboxylic acid	human metabolite
triiodothyronine sulfate	[no description available]	low	0	0	aryl sulfate; O-sulfoamino acid	human metabolite
3,7,12-trihydroxycholestan-26-oic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; hydroxy monocarboxylic acid; steroid acid	human metabolite
erythrose 4-phosphate	[no description available]	low	0	0	erythrose phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
n(8)-acetylspermidine	[no description available]	low	0	0	acetylspermidine	Escherichia coli metabolite; human metabolite
7 alpha-hydroxy-4-cholesten-3-one	[no description available]	low	0	0	3-oxo-Delta(4) steroid; 7alpha-hydroxy steroid; cholestanoid	human metabolite; mouse metabolite
pristanic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	human metabolite
gamma-glutamylcysteine	[no description available]	low	0	0	gamma-glutamylcysteine	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
27-hydroxycholesterol	[no description available]	low	0	0	26-hydroxycholesterol	apoptosis inducer; human metabolite; mouse metabolite; neuroprotective agent
hypothiocyanite ion	[no description available]	low	0	0	one-carbon compound; sulfur oxoacid	antibacterial agent; antifungal agent; antiviral agent; human metabolite; oxidising agent; rat metabolite
3-c-methylerythritol	[no description available]	low	0	0	tetritol	human metabolite
succinylacetoacetate	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; beta-diketone	human metabolite
isoursodeoxycholic acid	[no description available]	low	0	0	dihydroxy-5beta-cholanic acid	human metabolite
mannitol-1-phosphate	[no description available]	low	0	0	alditol 1-phosphate; hexitol phosphate	Escherichia coli metabolite; human metabolite
triiodothyronine	[no description available]	low	0	0	tetrahydrothiophenes; thiolactone	human metabolite
kinetensin	[no description available]	low	0	0	oligopeptide	histamine releasing agent; human metabolite
estra-1(10),4-diene-2,3,17-trione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(4) steroid; orthoquinones	human metabolite
2'-deoxycytidine diphosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
n-methylserotonin	[no description available]	low	0	0	phenols; tryptamines	human metabolite; plant metabolite
gamma-glutamylglutamine	[no description available]	low	0	0	dipeptide	human metabolite
n-palmitoylglycine	[no description available]	low	0	0	fatty amide; N-acylglycine 16:0	human metabolite; marine metabolite
gamma-glutamyl-leucine	[no description available]	low	0	0	glutamyl-L-amino acid	human metabolite
ribulose	[no description available]	low	0	0	ribulose	Escherichia coli metabolite; human metabolite
3,4-dihydroxyphenylglycolaldehyde	[no description available]	low	0	0	catechols; hydroxyaldehyde	human metabolite; mouse metabolite; neurotoxin
androsterone sulfate	[no description available]	low	0	0	17-oxo steroid; androstanoid; steroid sulfate	human metabolite; mouse metabolite
3,7,12-trihydroxycoprostane	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
saccharopine	[no description available]	low	0	0	amino acid opine; L-lysine derivative	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allysine	[no description available]	medium	0	0	allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
orotidylic acid	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
allocholic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; allo-bile acid; C24-steroid	human metabolite; marine metabolite; rat metabolite
kynurenine	[no description available]	medium	0	0	amino acid zwitterion; kynurenine; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nicotinate ribonucleoside	[no description available]	low	0	0	ammonium betaine	human metabolite
n(6)-(n-threonylcarbonyl)adenosine	[no description available]	low	0	0	L-threonine derivative; N-(adenosin-N(6)-ylcarbonyl)threonine	Escherichia coli metabolite; human metabolite
sedoheptulose 7-phosphate	[no description available]	low	0	0	ketoheptose phosphate; sedoheptulose derivative	Escherichia coli metabolite; human metabolite; mouse metabolite
histidinol	[no description available]	low	0	0	amino alcohol; imidazoles	EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
thiocysteine	[no description available]	medium	0	0	amino acid zwitterion; S-substituted L-cysteine	human metabolite; mouse metabolite
nicotinic acid adenine dinucleotide	[no description available]	low	0	0	nicotinic acid dinucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4,4-dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol	[no description available]	low	0	0	3beta-sterol	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
bradykinin, des-phe(8)-des-arg(9)-	[no description available]	low	0	0	oligopeptide	human metabolite; rat metabolite
isobutyryl-1-carnitine	[no description available]	low	0	0	methyl-branched fatty acyl-L-carnitine; O-isobutyrylcarnitine; saturated fatty acyl-L-carnitine	human metabolite
threitol	[no description available]	low	0	0	threitol	human metabolite
aceglutamide	[no description available]	low	0	0	N-acetyl-L-amino acid; N(2)-acetylglutamine; N(2)-acyl-L-glutamine	human metabolite
aflatoxin b1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
isospaglumic acid	[no description available]	low	0	0	dipeptide	human metabolite
2'-deoxyadenosine triphosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
2-methyl-3-oxovaleric acid	[no description available]	low	0	0	3-oxo monocarboxylic acid	human metabolite
monoacetylcadaverine	[no description available]	low	0	0	acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide	human metabolite
beta-citrylglutamic acid	[no description available]	low	0	0	N-acyl-L-glutamic acid; tetracarboxylic acid	human metabolite; iron chelator
maltotriose	[no description available]	low	0	0	maltotriose trisaccharide	human metabolite
cholestane-3,7,12,26-tetrol	[no description available]	low	0	0	12alpha-hydroxy steroid; 26-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
2-methylbutyrylglycine	[no description available]	low	0	0	N-acylglycine	human metabolite
neurotensin (1-8)	[no description available]	low	0	0	peptide zwitterion; peptide	human metabolite
erythritol	[no description available]	low	0	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
5 alpha-androstane-3 beta,17 beta-diol	[no description available]	low	0	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
cholesteryl palmitate	[no description available]	low	0	0	cholesteryl ester	human metabolite; mouse metabolite
lanosterol	[no description available]	low	0	0	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
2-hydroxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
5-hydroxyisourate	[no description available]	low	0	0	oxopurine	human metabolite; mouse metabolite
5-formyluracil	[no description available]	low	0	0	aldehyde; nucleobase analogue; pyrimidone	human metabolite; mutagen
5'-methylthioadenosine	[no description available]	low	0	0	thioadenosine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5'-deoxyadenosine	[no description available]	low	0	0	5'-deoxyribonucleoside; adenosines	Escherichia coli metabolite; human metabolite; mouse metabolite
isomaltose	[no description available]	low	0	0	glycosylglucose	human metabolite; metabolite; mouse metabolite
n-acetylneuraminic acid	[no description available]	low	0	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
5-hydroxytryptophan	[no description available]	medium	0	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
dopaquinone	[no description available]	medium	0	0	1,2-benzoquinones; amino acid zwitterion; L-phenylalanine derivative	human metabolite; mouse metabolite
tryptophanamide	[no description available]	low	0	0	amino acid amide; tryptophan derivative	human metabolite
5-diphosphomevalonic acid	[no description available]	low	0	0	carboxyalkyl phosphate	human metabolite; mouse metabolite
7-dehydrocholesterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol	human metabolite; mouse metabolite
cysteinylglycine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
desmosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C27-steroid; cholestanoid	human metabolite; mouse metabolite
monoiodotyrosine	[no description available]	medium	0	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
taurolithocholic acid	[no description available]	low	0	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
n'-formylkynurenine	[no description available]	medium	0	0	amino acid zwitterion; N-formylkynurenine; non-proteinogenic amino acid derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
fuculose 1-phosphate	[no description available]	low	0	0	deoxyaldohexose phosphate	human metabolite
nicotinamide-beta-riboside	[no description available]	low	0	0	N-glycosylnicotinamide; pyridine nucleoside	geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4-hydroxyphenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
trimethyllysine	[no description available]	low	0	0	alpha-amino-acid cation	human metabolite; mouse metabolite
inositol 3,4-bisphosphate	[no description available]	low	0	0	myo-inositol bisphosphate	human metabolite; mouse metabolite
n-acetylglucosamine-1-phosphate	[no description available]	low	0	0	N-acetyl-D-glucosamine 1-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
24,25-dihydrolanosterol	[no description available]	low	0	0	3beta-sterol; tetracyclic triterpenoid	human metabolite; mouse metabolite
2-hydroxyestrone	[no description available]	low	0	0	2-hydroxy steroid; catechols	human metabolite
2-methoxyestrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
cortodoxone	[no description available]	low	0	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
estradiol-3-glucuronide	[no description available]	low	0	0	17beta-hydroxy steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; mouse metabolite
acetyl adenylate	[no description available]	low	0	0	5'-acylphosphoadenosin	human metabolite; mouse metabolite
epiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; human metabolite
4,4-dimethylcholesta-8,14,24-trienol	[no description available]	low	0	0	3beta-sterol; Delta(14) steroid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
enkephalin, methionine	[no description available]	low	0	0	pentapeptide; peptide zwitterion	analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist
7-ketolithocholic acid	[no description available]	low	0	0	3alpha-hydroxy steroid; bile acid; monohydroxy-5beta-cholanic acid; oxo-5beta-cholanic acid	human metabolite
dephosphocoenzyme a	[no description available]	low	0	0	adenosine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
tretinoin	[no description available]	low	0	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
3-hydroxy-3-methylglutaryl-coenzyme a	[no description available]	low	0	0	3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA	human metabolite; mouse metabolite
ribothymidine	[no description available]	low	0	0	methyluridine	antigen; Escherichia coli metabolite; human metabolite
docosahexaenoate	[no description available]	low	0	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
tetragastrin	[no description available]	low	0	0	peptidyl amide; tetrapeptide	anxiogenic; human metabolite
prostaglandin d2	[no description available]	low	0	0	prostaglandins D	human metabolite; mouse metabolite
hexanoyl-coenzyme a	[no description available]	low	0	0	medium-chain fatty acyl-CoA	Escherichia coli metabolite; human metabolite; mouse metabolite
tyrosine o-sulfate	[no description available]	low	0	0	aryl sulfate; L-tyrosine derivative; O-sulfoamino acid	human metabolite
thyrotropin-releasing hormone	[no description available]	low	0	0	peptide hormone; tripeptide	human metabolite
n-methylproline	[no description available]	low	0	0	L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound	human metabolite; plant metabolite
citraconic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
flavin-adenine dinucleotide	[no description available]	low	0	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
flavin mononucleotide	[no description available]	low	0	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
mannose 1-phosphate	[no description available]	low	0	0	mannose phosphate	fundamental metabolite; human metabolite
glycerylphosphorylcholine	[no description available]	low	0	0	phosphocholines; sn-glycerol 3-phosphates	Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite
cysteine sulfinic acid	[no description available]	low	0	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
cholesterol acetate	[no description available]	low	0	0	acetate ester; cholesteryl ester	human metabolite
1,6-anhydro-beta-glucopyranose	[no description available]	low	0	0	anhydrohexose	Arabidopsis thaliana metabolite; biomarker; human metabolite
glycylvaline	[no description available]	low	0	0	dipeptide	human metabolite
sodium taurodeoxycholate	[no description available]	low	0	0	bile acid taurine conjugate	human metabolite
estrone sulfate	[no description available]	low	0	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
hydroxylysine	[no description available]	low	0	0	5-hydroxylysine; hydroxy-L-lysine	human metabolite
glycodeoxycholic acid	[no description available]	low	0	0	bile acid glycine conjugate	human metabolite
isobutyryl-coenzyme a	[no description available]	low	0	0	methyl-branched fatty acyl-CoA; short-chain fatty acyl-CoA	human metabolite; mouse metabolite
galactaric acid	[no description available]	low	0	0	hexaric acid	human metabolite
dihydroxycoprostane	[no description available]	low	0	0	3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
angiotensin i, ile(5)-	[no description available]	low	0	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
fructosyl-glycine	[no description available]	low	0	0	fructosamine; glycine derivative; glyco-amino acid	human metabolite
arachidoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	human metabolite
lignoceroyl-coenzyme a	[no description available]	low	0	0	very long-chain fatty acyl-CoA	human metabolite; Saccharomyces cerevisiae metabolite
5-hydroxybenzimidazole	[no description available]	low	0	0	benzimidazoles; phenols	bacterial metabolite; human metabolite; rat metabolite
n-carbamylglutamate	[no description available]	low	0	0	glutamic acid derivative; ureas	human metabolite
citramalate	[no description available]	low	0	0	dicarboxylic acid dianion	human metabolite; plant metabolite
4-cresol sulfate	[no description available]	low	0	0	aryl sulfate	gut flora metabolite; human metabolite; uremic toxin
prostaglandin b1	[no description available]	low	0	0	prostaglandins B	human metabolite
psychosine	[no description available]	low	0	0	glycosylsphingoid	human metabolite
ubiquinone 9	[no description available]	low	0	0	ubiquinones	antioxidant; human metabolite
11-cis-retinal	[no description available]	low	0	0	retinal	chromophore; human metabolite; mouse metabolite
leukotriene c4	[no description available]	low	0	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
prostaglandin f2beta	[no description available]	low	0	0	prostaglandins Fbeta	human metabolite
8,11,14-eicosatrienoic acid	[no description available]	low	0	0	fatty acid 20:3; long-chain fatty acid	fungal metabolite; human metabolite; nutraceutical
15-keto-5,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	oxoicosatetraenoic acid	human metabolite
15-hydroxy-5,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	(5Z,8Z,11Z,13E)-15-HETE	human metabolite; mouse metabolite
5-hydroxy-6,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	HETE	human metabolite; mouse metabolite
cholecalciferol	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
leukotriene d4	[no description available]	low	0	0	dipeptide; leukotriene; organic sulfide	bronchoconstrictor agent; human metabolite; mouse metabolite
prostaglandin a2	[no description available]	low	0	0	prostaglandins A	human metabolite
prostaglandin b2	[no description available]	low	0	0	prostaglandins B	human metabolite
prostaglandin g2	[no description available]	low	0	0	prostaglandins G	human metabolite; mouse metabolite
9-deoxy-delta-9-prostaglandin d2	[no description available]	low	0	0	prostaglandins J	human metabolite
6-ketoprostaglandin f1 alpha	[no description available]	low	0	0	prostaglandins Falpha	human metabolite; mouse metabolite
11-dehydro-thromboxane b2	[no description available]	low	0	0	thromboxane	human metabolite
lipoxin a4	[no description available]	low	0	0	hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid	human metabolite; metabolite
gamma-linolenic acid	[no description available]	low	0	0	linolenic acid; omega-6 fatty acid	human metabolite; mouse metabolite; plant metabolite
prostaglandin e3	[no description available]	low	0	0	prostaglandins E	human metabolite
leukotriene f-4	[no description available]	low	0	0	dipeptide; leukotriene; organic sulfide	human metabolite
prostaglandin f1	[no description available]	low	0	0	prostaglandins Falpha	human metabolite
previtamin d(3)	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol	human metabolite
brassicasterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor
retinoyl beta-glucuronide	[no description available]	low	0	0	glucuronic acids; retinoid	human metabolite
coenzyme q10	[no description available]	low	0	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
prostaglandin d3	[no description available]	low	0	0	prostaglandins D	human metabolite
glyceryl 2-arachidonate	[no description available]	low	0	0	2-acylglycerol 20:4; endocannabinoid	human metabolite
tocotrienol, alpha	[no description available]	low	0	0	tocotrienol; vitamin E	ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite
11-ketotestosterone	[no description available]	low	0	0	11-oxo steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; human metabolite; marine xenobiotic metabolite
menatetrenone	[no description available]	low	0	0	menaquinone	anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent
phthioic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; fatty acid 26:0; methyl-branched fatty acid; very long-chain fatty acid	Aspergillus metabolite; human metabolite
2-decenoic acid	[no description available]	low	0	0	2-decenoic acid	human metabolite
9,11-linoleic acid	[no description available]	low	0	0	octadeca-9,11-dienoic acid	anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite
9-hydroxy-10,12-octadecadienoic acid	[no description available]	low	0	0	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
17-phenyltrinorprostaglandin e2	[no description available]	low	0	0	alicyclic ketone; beta-hydroxy ketone; hydroxy monocarboxylic acid; olefinic compound; oxo monocarboxylic acid; prostanoid; secondary alcohol	human metabolite; prostaglandin receptor agonist
thromboxane b2	[no description available]	low	0	0	thromboxanes B	human metabolite; mouse metabolite
thromboxane b3	[no description available]	low	0	0	thromboxanes B	human metabolite; mouse metabolite
12-hydroxy-5,8,10,14-eicosatetraenoic acid	[no description available]	low	0	0	(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid; HETE	human metabolite; pro-angiogenic agent
20-hydroxy-5,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	HETE; hydroxy monocarboxylic acid	human metabolite; mouse metabolite
5-oxo-6,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	oxoicosatetraenoic acid	human metabolite; immunomodulator; mouse metabolite
8-isoprostaglandin e2	[no description available]	low	0	0	cyclic ketone; diol; prostanoid; secondary alcohol	bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent
oleylamide	[no description available]	low	0	0	primary fatty amide	human metabolite; plant metabolite
monolinolein	[no description available]	low	0	0	1-acylglycerol 18:2; rac-1-monoacylglycerol	antiviral agent; human metabolite; plant metabolite
1,25-dihydroxy-24-oxo-vitamin d3	[no description available]	low	0	0	hydroxycalciol; oxocalciol; tertiary alpha-hydroxy ketone	human metabolite
calcifediol	[no description available]	low	0	0	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical
hyodeoxycholic acid	[no description available]	low	0	0	5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid	human metabolite; mouse metabolite
cerium	[no description available]	low	0	0	CE(18:2); cholesteryl octadeca-9,12-dienoate	human metabolite; mouse metabolite
xylulose	[no description available]	low	0	0	xylulose	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
11-dehydrocorticosterone	[no description available]	low	0	0	11-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
1-butyl oleate	[no description available]	low	0	0	fatty acid ester	human metabolite
8-hydroxyadenine	[no description available]	low	0	0	6-aminopurines; heteroaryl hydroxy compound; nucleobase analogue; oxopurine	bacterial metabolite; human metabolite
erucyl amide	[no description available]	low	0	0	13-docosenamide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite
vitamin mk 8	[no description available]	low	0	0	menaquinone	Escherichia coli metabolite; human metabolite
2,3-oxidosqualene	[no description available]	low	0	0	2,3-epoxysqualene	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2-keto-4-hydroxyglutarate	[no description available]	low	0	0	oxo dicarboxylate	human metabolite; Saccharomyces cerevisiae metabolite
deoxyribose	[no description available]	low	0	0	deoxypentose	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
iditol	[no description available]	low	0	0	iditol	fungal metabolite; human metabolite
glutamate	[no description available]	low	0	0	glutamate(1-); polar amino acid zwitterion	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; human metabolite; Saccharomyces cerevisiae metabolite
cerotate	[no description available]	low	0	0	fatty acid anion 26:0; omega-methyl fatty acid anion; very long-chain fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
adenosine triphosphate	[no description available]	low	0	0	nucleoside 5'-triphoshate(4-)	cofactor; fundamental metabolite; human metabolite
docosapentaenoic acid	[no description available]	low	0	0	docosapentaenoic acid; omega-3 fatty acid	algal metabolite; human metabolite
3-methylbutyrylcarnitine	[no description available]	low	0	0	C5-acylcarnitine	human metabolite
hexanoylcarnitine	[no description available]	low	0	0	hexanoate ester; O-acylcarnitine	human metabolite
linoleamide	[no description available]	low	0	0	primary fatty amide	human metabolite
13-cis-retinal	[no description available]	low	0	0	retinal	human metabolite
4-hydroxyretinoic acid	[no description available]	low	0	0	retinoid; secondary allylic alcohol	human metabolite
4-oxo-2-nonenal	[no description available]	low	0	0	enal; enone	human metabolite
20,22-dihydroxycholesterol	[no description available]	low	0	0	20-hydroxy steroid; 22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; oxysterol	human metabolite; mouse metabolite
biotinate	[no description available]	low	0	0	monocarboxylic acid anion; vitamin B7	cofactor; human metabolite; Saccharomyces cerevisiae metabolite
6 beta-hydroxycortisol	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mammalian metabolite; probe
fuculose	[no description available]	low	0	0	deoxyketohexose	Escherichia coli metabolite; human metabolite
gamma-glutamylvaline	[no description available]	low	0	0	glutamyl-L-amino acid	human metabolite
ophthalmic acid	[no description available]	low	0	0	L-glutamine derivative	biomarker; human metabolite
acetylcarnitine	[no description available]	low	0	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
adenosine diphosphate	[no description available]	low	0	0	nucleoside 5'-diphosphate(3-)	fundamental metabolite; human metabolite
cyclic amp	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
1,23,25-trihydroxyvitamin d3	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; hydroxycalciol; tetrol	human metabolite
arachidonoylserotonin	[no description available]	low	0	0	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule
3-hydroxyproline	[no description available]	medium	0	0	3-hydroxyproline; amino acid zwitterion; D-proline derivative	bacterial metabolite; human metabolite
octanoylcarnitine	[no description available]	low	0	0	O-octanoylcarnitine; saturated fatty acyl-L-carnitine	human metabolite
palmitoylcarnitine	[no description available]	low	0	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
cyclic 3',5'-thymidine monophosphate	[no description available]	low	0	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
pristanal	[no description available]	low	0	0	2-methyl-branched fatty aldehyde; saturated fatty aldehyde	human metabolite
lanosten-3-ol-32-al	[no description available]	low	0	0	14alpha-formyl steroid; 3beta-sterol; tetracyclic triterpenoid	human metabolite
thiamine pyrophosphate	[no description available]	low	0	0	organophosphate oxoanion; vitamin B1	human metabolite; Saccharomyces cerevisiae metabolite
adenosine monophosphate	[no description available]	low	0	0	nucleoside 5'-monophosphate(2-)	cofactor; fundamental metabolite; human metabolite
cob(ii)alamin	[no description available]	low	0	0	cobalamin	cofactor; human metabolite
nociceptin	[no description available]	low	0	0	organic molecular entity; polypeptide	human metabolite; rat metabolite
3-hydroxy-3-methyl-hexanoic acid	[no description available]	low	0	0	3-hydroxy monocarboxylic acid; volatile organic compound	human metabolite
uridine diphosphate	[no description available]	low	0	0	nucleoside 5'-diphosphate(3-)	human metabolite; Saccharomyces cerevisiae metabolite
n-acetylgalactosamine-1-phosphate	[no description available]	low	0	0	D-galactosamine 1-phosphate	human metabolite
1-phospho-5-s-methylthioribulose	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
10-nitro-oleic acid	[no description available]	low	0	0	long-chain fatty acid; monounsaturated fatty acid; nitro fatty acid	human metabolite
ticrynafen	[no description available]	low	0	0	monocarboxylic acid anion; organophosphate oxoanion	human metabolite
s-(1,2-dicarboxyethyl)cysteine	[no description available]	low	0	0	L-cysteine thioether; tricarboxylic acid	human metabolite; Maillard reaction product
apelin-13 peptide	[no description available]	low	0	0	oligopeptide	antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe	[no description available]	low	0	0	polypeptide	apoptosis inhibitor; human metabolite; neuroprotective agent
taurolithocholic acid 3-sulfate	[no description available]	low	0	0	steroid sulfate oxoanion	human metabolite
inositol 1,3,4-trisphosphate	[no description available]	low	0	0	inositol phosphate oxoanion	human metabolite
diadenosine tetraphosphate	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
2-ketoarginine	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
adenosine diphosphate glucose	[no description available]	low	0	0	NDP-alpha-D-glucose(2-); ribonucleoside 5'-diphosphate-alpha-D-glucose(2-)	human metabolite
nicotinate mononucleotide	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
oleoylcarnitine	[no description available]	low	0	0	monounsaturated fatty acyl-L-carnitine	glycine transporter 2 inhibitor; human metabolite
uridine diphosphate n-acetylgalactosamine	[no description available]	low	0	0	nucleotide-sugar oxoanion	human metabolite
6-phosphogluconolactone	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
3-hydroxyisovalerylcarnitine	[no description available]	low	0	0	O-acylcarnitine	human metabolite
angiotensin i	[no description available]	low	0	0	angiotensin; peptide zwitterion	antihypertensive agent; cardioprotective agent; human metabolite; rat metabolite
9-PAHSA	[no description available]	low	0	0	FAHFA; long-chain fatty acid	anti-inflammatory agent; human metabolite; hypoglycemic agent
angiotensin i	[no description available]	low	0	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
lugdunin	[no description available]	low	0	0	homodetic cyclic peptide; indoles; macrocycle; peptide antibiotic; thiazolidines	human metabolite; rat metabolite
deoxyguanosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyinosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
deoxyguanosine triphosphate	[no description available]	low	0	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	[no description available]	low	0	0	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyinosine monophosphate	[no description available]	low	0	0	deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
guanosine diphosphate mannose	[no description available]	low	0	0	GDP-D-mannose	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
inosinic acid	[no description available]	low	0	0	inosine phosphate; purine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
inosine triphosphate	[no description available]	low	0	0	inosine phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
sapropterin	[no description available]	low	0	0	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite
dyspropterin	[no description available]	low	0	0	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite
8-nitroguanosine 3',5'-cyclic monophosphate	[no description available]	low	0	0	3',5'-cyclic purine nucleotide; C-nitro compound	biomarker; Brassica napus metabolite; human metabolite; signalling molecule
n(2),n(2)-dimethylguanosine	[no description available]	low	0	0	methylguanosine	human metabolite
creatinine	[no description available]	low	0	0	imidazolidinone; lactam	diagnostic agent; human metabolite
apelin-12 peptide	[no description available]	low	0	0	oligopeptide	biomarker; human blood serum metabolite; human metabolite; neuroprotective agent
betaine hydrochloride	[no description available]	low	0	0	quaternary ammonium ion	fundamental metabolite
malic acid	[no description available]	low	0	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
cysteine	[no description available]	medium	0	0	alpha-amino acid; amino acid zwitterion; polar amino acid; sulfur-containing amino acid	fundamental metabolite
3-phosphoglycerate	[no description available]	low	0	0	monophosphoglyceric acid; tetronic acid derivative	algal metabolite; fundamental metabolite
glyceraldehyde	[no description available]	low	0	0	aldotriose	fundamental metabolite
glyceric acid	[no description available]	low	0	0	trionic acid	fundamental metabolite
thioctic acid	[no description available]	low	0	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
phenylpyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid	chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite
phosphoenolpyruvate	[no description available]	low	0	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
isocitric acid	[no description available]	low	0	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
nadp	[no description available]	low	0	0	NADP	fundamental metabolite
uridine diphosphate glucose	[no description available]	low	0	0	UDP-D-glucose	fundamental metabolite
thymidine monophosphate	[no description available]	low	0	0	thymidine 5'-monophosphate	fundamental metabolite
2'-deoxy-5'-adenosine monophosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate	fundamental metabolite
pseudouridine	[no description available]	low	0	0	pseudouridines	fundamental metabolite
uridine diphosphate xylose	[no description available]	low	0	0	UDP-sugar	fundamental metabolite
serum p-component	[no description available]	low	0	0	citrate anion; tricarboxylic acid trianion	fundamental metabolite
6-phosphogluconic acid	[no description available]	low	0	0	gluconic acid phosphate	fundamental metabolite
s-adenosylhomocysteine	[no description available]	medium	0	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
aconitic acid	[no description available]	low	0	0	aconitic acid	fundamental metabolite
guanosine	[no description available]	low	0	0	guanosines; purines D-ribonucleoside	fundamental metabolite
hypoxanthine	[no description available]	low	0	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
inosine diphosphate	[no description available]	low	0	0	inosine phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite
7-keto-8-aminopelargonic acid	[no description available]	low	0	0	7-oxo monocarboxylic acid; amino acid zwitterion; amino acid	Saccharomyces cerevisiae metabolite
thyroxine	[no description available]	low	0	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine; non-proteinogenic alpha-amino acid; tyrosine derivative	mitogen
racemethionine	[no description available]	low	0	0	alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid	algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
4-amino-3-hydroxybutyric acid	[no description available]	low	0	0	3-hydroxy monocarboxylic acid; amino acid zwitterion; gamma-amino acid
2-amino-delta(2)-thiazoline-4-carboxylic acid	[no description available]	low	0	0	1,3-thiazoles; amino acid zwitterion; sulfur-containing amino acid
glucosaminic acid	[no description available]	low	0	0	amino acid zwitterion; gluconic acid derivative	bacterial metabolite
D-dopa	[no description available]	low	0	0	amino acid zwitterion; D-tyrosine derivative; dopa
selenomethionine	[no description available]	low	0	0	amino acid zwitterion; selenomethionine	plant metabolite
4-ketoproline	[no description available]	low	0	0	4-oxoproline; amino acid zwitterion; L-proline derivative; non-proteinogenic L-alpha-amino acid
angiotensin ii, des-phe(8)-	[no description available]	low	0	0	amino acid zwitterion; angiotensin	vasodilator agent
n(omega)-hydroxyarginine	[no description available]	low	0	0	amino acid zwitterion; N(5)-[(E)-amino(hydroxyimino)methyl]ornithine; N(5)-[(hydroxyamino)(imino)methyl]ornithine; N(5)-[(Z)-amino(hydroxyimino)methyl]ornithine; N(5)-[amino(hydroxyimino)methyl]-L-ornithine; N(5)-[amino(hydroxyimino)methyl]ornithine; N(omega)-hydroxy-L-arginine
4-fluorothreonine	[no description available]	low	0	0	amino acid zwitterion; fluoroamino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid
glutamate-1-semialdehyde	[no description available]	low	0	0	5-oxo monocarboxylic acid; amino acid zwitterion; gamma-amino acid; glutamic semialdehyde	Escherichia coli metabolite
d-glutamine	[no description available]	low	0	0	amino acid zwitterion; D-alpha-amino acid; glutamine	mouse metabolite
selenomethylselenocysteine	[no description available]	low	0	0	amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine	antineoplastic agent
4-aminophenylalanine	[no description available]	low	0	0	4-aminophenylalanine; amino acid zwitterion
methyl-3-tyrosine	[no description available]	low	0	0	amino acid zwitterion; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid
lombricine	[no description available]	low	0	0	amino acid zwitterion; lombricine
symmetric dimethylarginine	[no description available]	low	0	0	amino acid zwitterion; dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor
delta-n-hydroxyornithine	[no description available]	low	0	0	amino acid zwitterion; hydroxylamines; L-ornithine derivative; non-proteinogenic alpha-amino acid
hydroxythreonine	[no description available]	low	0	0	amino acid zwitterion; hydroxy-amino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
proclavaminic acid	[no description available]	low	0	0	amino acid zwitterion; azetidines; monocarboxylic acid
canavanine	[no description available]	low	0	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
diaminopimelic acid	[no description available]	low	0	0	2,6-diaminopimelic acid; amino acid zwitterion	Escherichia coli metabolite
theanine	[no description available]	low	0	0	amino acid zwitterion; N(5)-alkyl-L-glutamine	geroprotector; neuroprotective agent; plant metabolite
agaritine	[no description available]	low	0	0	amino acid zwitterion; benzyl alcohols; carbohydrazide; L-glutamic acid derivative; non-proteinogenic L-alpha-amino acid
beta-chloro-l-alanine	[no description available]	low	0	0	3-chloroalanine; amino acid zwitterion; L-alanine derivative
mimosine	[no description available]	low	0	0	4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
7-aminocephalosporanic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion
canaline	[no description available]	low	0	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
c(alpha)-formylglycine	[no description available]	low	0	0	3-oxoalanine; amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite
3,5-dihydroxyphenylglycine	[no description available]	low	0	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols
gamma-glutamyl hydroxamate	[no description available]	low	0	0	amino acid zwitterion; glutamic acid derivative; hydroxamic acid
triiodothyronine, reverse	[no description available]	low	0	0	3,3',5'-triiodothyronine; amino acid zwitterion
7-chlorotryptophan	[no description available]	low	0	0	7-chlorotryptophan; amino acid zwitterion; L-tryptophan derivative; non-proteinogenic L-alpha-amino acid
serine ethanolamine phosphate	[no description available]	low	0	0	amino acid zwitterion; non-proteinogenic alpha-amino acid; O-phosphoamino acid; phosphoethanolamine; serine derivative
pyrrolysine	[no description available]	low	0	0	amino acid zwitterion; N(6)-acyl-L-lysine; proteinogenic amino acid; pyrrolysine
s-farnesylcysteine	[no description available]	low	0	0	amino acid zwitterion; S-farnesyl-L-cysteine; S-polyprenyl-L-cysteine zwitterion
nicotianamine	[no description available]	low	0	0	amino acid zwitterion; nicotianamine	chelator; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; plant metabolite
methionine sulfoxide	[no description available]	low	0	0	amino acid zwitterion; L-methionine S-oxide	Escherichia coli metabolite
2-methyltryptophan	[no description available]	low	0	0	amino acid zwitterion; L-tryptophan derivative	bacterial metabolite
tetrahydrozoline	[no description available]	low	0	0	amino acid zwitterion; hydroxy-amino acid
diphthine	[no description available]	low	0	0	amino acid zwitterion

Article	Year
The effectiveness and safety profile of netarsudil 0.02% in glaucoma treatment: real-world 6-month outcomes. Graefe's archive for clinical and experimental ophthalmology = Albrecht von Graefes Archiv fur klinische und experimentelle Ophthalmologie, Volume: 260, Issue: 3	2022
Safety and efficacy of topically administered netarsudil-latanoprost fixed dose combination (FDC; Rocklatan™) in normal and glaucomatous dogs with ADAMTS10-open-angle glaucoma (ADAMTS10-OAG). Veterinary ophthalmology, Volume: 24, Issue: 6	2021
Pooled Efficacy and Safety Profile of Netarsudil Ophthalmic Solution 0.02% in Patients With Open-angle Glaucoma or Ocular Hypertension. Journal of glaucoma, Volume: 29, Issue: 10	2020
Fixed-Dose Combination of Netarsudil and Latanoprost in Ocular Hypertension and Open-Angle Glaucoma: Pooled Efficacy/Safety Analysis of Phase 3 MERCURY-1 and -2. Advances in therapy, Volume: 37, Issue: 4	2020
Safety and efficacy of topically administered netarsudil (Rhopressa™) in normal and glaucomatous dogs with ADAMTS10-open-angle glaucoma (ADAMTS10-OAG). Veterinary ophthalmology, Volume: 24 Suppl 1	2021
Long-term Safety and Ocular Hypotensive Efficacy Evaluation of Netarsudil Ophthalmic Solution: Rho Kinase Elevated IOP Treatment Trial (ROCKET-2). American journal of ophthalmology, Volume: 200	2019
Multi-ingredient pre-workout supplements, safety implications, and performance outcomes: a brief review. Journal of the International Society of Sports Nutrition, Aug-08, Volume: 15, Issue: 1	2018
Efficacy and safety of the glucagon receptor antagonist PF-06291874: A 12-week, randomized, dose-response study in patients with type 2 diabetes mellitus on background metformin therapy. Diabetes, obesity & metabolism, Volume: 20, Issue: 11	2018
Two Phase 3 Clinical Trials Comparing the Safety and Efficacy of Netarsudil to Timolol in Patients With Elevated Intraocular Pressure: Rho Kinase Elevated IOP Treatment Trial 1 and 2 (ROCKET-1 and ROCKET-2). American journal of ophthalmology, Volume: 186	2018
Mitochondrial defects associated with β-alanine toxicity: relevance to hyper-beta-alaninemia. Molecular and cellular biochemistry, Volume: 416, Issue: 1-2	2016
Feasibility and safety of uninterrupted dabigatran therapy in patients undergoing ablation for atrial fibrillation. Internal medicine (Tokyo, Japan), Volume: 54, Issue: 10	2015
[Comparison of the safety of rivaroxaban versus dabigatran therapy in patients with persistent atrial fibrillation]. Polski merkuriusz lekarski : organ Polskiego Towarzystwa Lekarskiego, Volume: 37, Issue: 221	2014
Safety of novel oral anticoagulants compared with uninterrupted warfarin for catheter ablation of atrial fibrillation. The Annals of pharmacotherapy, Volume: 49, Issue: 3	2015
Pharmacology and safety of new oral anticoagulants: the challenge of bleeding persists. Clinics in laboratory medicine, Volume: 34, Issue: 3	2014
Meta-analysis of efficacy and safety of rivaroxaban compared with warfarin or dabigatran in patients undergoing catheter ablation for atrial fibrillation. The American journal of cardiology, Aug-15, Volume: 114, Issue: 4	2014
Editor's Choice - efficacy and safety of the new oral anticoagulants dabigatran, rivaroxaban, apixaban, and edoxaban in the treatment and secondary prevention of venous thromboembolism: a systematic review and meta-analysis of phase III trials. European journal of vascular and endovascular surgery : the official journal of the European Society for Vascular Surgery, Volume: 48, Issue: 5	2014
Ingesting a preworkout supplement containing caffeine, creatine, β-alanine, amino acids, and B vitamins for 28 days is both safe and efficacious in recreationally active men. Nutrition research (New York, N.Y.), Volume: 34, Issue: 5	2014
Safety of switching from vitamin K antagonists to dabigatran or rivaroxaban in daily care--results from the Dresden NOAC registry. British journal of clinical pharmacology, Volume: 78, Issue: 4	2014
Evidence-based evaluation of potential benefits and safety of beta-alanine supplementation for military personnel. Nutrition reviews, Volume: 72, Issue: 3	2014
Evaluation of dabigatran bleeding adverse reaction reports in the FDA adverse event reporting system during the first year of approval. Pharmacotherapy, Volume: 34, Issue: 6	2014
Efficacy and safety of edoxaban in comparison with dabigatran, rivaroxaban and apixaban for stroke prevention in atrial fibrillation. An indirect comparison analysis. Thrombosis and haemostasis, May-05, Volume: 111, Issue: 5	2014
Safety of short-term use of dabigatran or rivaroxaban for direct-current cardioversion in patients with atrial fibrillation and atrial flutter. The American journal of cardiology, Apr-15, Volume: 113, Issue: 8	2014
Effectiveness and safety of novel oral anticoagulants as compared with vitamin K antagonists in the treatment of acute symptomatic venous thromboembolism: a systematic review and meta-analysis. Journal of thrombosis and haemostasis : JTH, Volume: 12, Issue: 3	2014
A single centre experience of the efficacy and safety of dabigatran etexilate used for stroke prevention in atrial fibrillation. Journal of thrombosis and thrombolysis, Volume: 38, Issue: 1	2014
Manipulating the pH response of 2,3-diaminopropionic acid rich peptides to mediate highly effective gene silencing with low-toxicity. Journal of controlled release : official journal of the Controlled Release Society, Dec-28, Volume: 172, Issue: 3	2013
Efficacy and safety outcomes of oral anticoagulants and antiplatelet drugs in the secondary prevention of venous thromboembolism: systematic review and network meta-analysis. BMJ (Clinical research ed.), Aug-30, Volume: 347	2013
Safety and efficacy of dabigatran compared with warfarin for patients undergoing radiofrequency catheter ablation of atrial fibrillation: a meta-analysis. The Canadian journal of cardiology, Volume: 29, Issue: 10	2013
Safety and efficacy of dabigatran versus warfarin in patients undergoing catheter ablation of atrial fibrillation: a systematic review and meta-analysis. Heart (British Cardiac Society), Volume: 100, Issue: 4	2014
Dabigatran for thromboprophylaxis after robotic assisted laparoscopic prostatectomy: retrospective analysis of safety profile and effect on blood coagulation. Scandinavian journal of urology, Volume: 48, Issue: 2	2014
"Blue letter effects": Changes in physicians' attitudes toward dabigatran after a safety advisory in a specialized hospital for cardiovascular care in Japan. Journal of cardiology, Volume: 62, Issue: 6	2013
Dabigatran in the peri-procedural period for radiofrequency ablation of atrial fibrillation: efficacy, safety, and impact on duration of hospital stay. Journal of interventional cardiac electrophysiology : an international journal of arrhythmias and pacing, Volume: 37, Issue: 3	2013
Efficacy and safety of ingredients found in preworkout supplements. American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists, Apr-01, Volume: 70, Issue: 7	2013
Safety of continuous anticoagulation with dabigatran during implantation of cardiac rhythm devices. The American journal of cardiology, Apr-15, Volume: 111, Issue: 8	2013
[Safety and efficacy of various modalities of antiplatelet prophylaxis of ischemic stroke in elderly patients with non-valvular atrial fibrillation]. Klinicheskaia meditsina, Volume: 90, Issue: 10	2012
Analysis of upper gastrointestinal adverse events among patients given dabigatran in the RE-LY trial. Clinical gastroenterology and hepatology : the official clinical practice journal of the American Gastroenterological Association, Volume: 11, Issue: 3	2013
[The clinical efficacy and safety of panipenem-betamipron in treatment of moderate to severe pulmonary infection]. Zhonghua nei ke za zhi, Volume: 51, Issue: 7	2012
Dabigatran is effective with a favourable safety profile in normal and overweight patients undergoing major orthopaedic surgery: a pooled analysis. Thrombosis research, Volume: 130, Issue: 5	2012
Comparison of efficacy and safety of dabigatran, rivaroxaban and apixaban in patients with atrial fibrillation using network meta-analysis. International angiology : a journal of the International Union of Angiology, Volume: 31, Issue: 4	2012
Comparative efficacy and safety of new oral anticoagulants in patients with atrial fibrillation. Circulation. Cardiovascular quality and outcomes, Jul-01, Volume: 5, Issue: 4	2012
Efficacy and safety of periprocedural dabigatran in patients undergoing catheter ablation of atrial fibrillation. Circulation journal : official journal of the Japanese Circulation Society, Volume: 76, Issue: 10	2012
Meta-analysis of efficacy and safety of new oral anticoagulants (dabigatran, rivaroxaban, apixaban) versus warfarin in patients with atrial fibrillation. The American journal of cardiology, Aug-01, Volume: 110, Issue: 3	2012
The efficacy and safety of pharmacological prophylaxis of venous thromboembolism following elective knee or hip replacement: systematic review and network meta-analysis. Clinical and applied thrombosis/hemostasis : official journal of the International Academy of Clinical and Applied Thrombosis/Hemostasis, Volume: 18, Issue: 6	2012
Feasibility and safety of dabigatran versus warfarin for periprocedural anticoagulation in patients undergoing radiofrequency ablation for atrial fibrillation: results from a multicenter prospective registry. Journal of the American College of Cardiology, Mar-27, Volume: 59, Issue: 13	2012
Efficacy and safety of dabigatran vs. warfarin in patients with atrial fibrillation--sub-analysis in Japanese population in RE-LY trial. Circulation journal : official journal of the Japanese Circulation Society, Volume: 75, Issue: 4	2011
Weak BMAA toxicity compares with that of the dietary supplement β-alanine. Neurobiology of aging, Volume: 33, Issue: 7	2012
Ecotoxicity and genotoxicity assessment of cytotoxic antineoplastic drugs and their metabolites. Chemosphere, Volume: 81, Issue: 2	2010
L-beta-ODAP alters mitochondrial Ca2+ handling as an early event in excitotoxicity. Cell calcium, Volume: 47, Issue: 3	2010
The proteolytic stability and cytotoxicity studies of L-aspartic acid and L-diaminopropionic acid derived beta-peptides and a mixed alpha/beta-peptide. Chemical biology & drug design, Volume: 73, Issue: 5	2009
Cell-penetrating peptides as transporters for morpholino oligomers: effects of amino acid composition on intracellular delivery and cytotoxicity. Nucleic acids research, Volume: 35, Issue: 15	2007
The concept of "aldehyde load" in neurodegenerative mechanisms: cytotoxicity of the polyamine degradation products hydrogen peroxide, acrolein, 3-aminopropanal, 3-acetamidopropanal and 4-aminobutanal in a retinal ganglion cell line. Brain research, May-11, Volume: 1145	2007
Effect of beta-alanine administration on carbon tetrachloride-induced acute hepatotoxicity. Amino acids, Volume: 33, Issue: 3	2007
Transformation and ecotoxicity of carbamic pesticides in water. Environmental science and pollution research international, Volume: 13, Issue: 2	2006
5-Fluorouracil cardiotoxicity induced by alpha-fluoro-beta-alanine. International journal of clinical oncology, Volume: 10, Issue: 6	2005
Lack of contribution of dihydrofluorouracil and alpha-fluoro-beta-alanine to the cytotoxicity of 5'-deoxy-5-fluorouridine on human keratinocytes. Anti-cancer drugs, Volume: 15, Issue: 10	2004
Neurotoxic effects of alpha-fluoro-beta-alanine (FBAL) and fluoroacetic acid (FA) on dogs. The Journal of toxicological sciences, Volume: 29, Issue: 2	2004
L-alanine-glyoxylate aminotransferase II of rat kidney and liver mitochondria possesses cysteine S-conjugate beta-lyase activity: a contributing factor to the nephrotoxicity/hepatotoxicity of halogenated alkenes? The Biochemical journal, Nov-15, Volume: 376, Issue: Pt 1	2003
The acute toxicity of gluconic acid, beta-alaninediacetic acid, diethylenetriaminepentakismethylenephosphonic acid, and nitrilotriacetic acid determined by Daphnia magna, Raphidocelis subcapitata, and Photobacterium phosphoreum. Archives of environmental contamination and toxicology, Volume: 44, Issue: 3	2003
Remission of West syndrome associated with valproate hepatotoxicity. Brain & development, Volume: 24, Issue: 4	2002
Neurolathyrism: mitochondrial dysfunction in excitotoxicity mediated by L-beta-oxalyl aminoalanine. Neurochemistry international, Volume: 40, Issue: 6	2002
Cytoprotective effect of taurine against hypochlorous acid toxicity to PC12 cells. Advances in experimental medicine and biology, Volume: 483	2000
DA-125, a novel anthracycline derivative showing high-affinity DNA binding and topoisomerase II inhibitory activities, exerts cytotoxicity via c-Jun N-terminal kinase pathway. Cancer chemotherapy and pharmacology, Volume: 47, Issue: 6	2001
Excitotoxicity induces changes in rat brain gangliosides. Neuroscience research, Volume: 39, Issue: 2	2001
alpha-fluoro-beta-alanine: effects on the antitumor activity and toxicity of 5-fluorouracil. Biochemical pharmacology, Apr-15, Volume: 59, Issue: 8	2000
Growth factors and taurine protect against excitotoxicity by stabilizing calcium homeostasis and energy metabolism. The Journal of neuroscience : the official journal of the Society for Neuroscience, Nov-01, Volume: 19, Issue: 21	1999
[Evaluation of a multi-hospital cooperative study on the efficacy and safety of panipenem/betamipron (PAPM/BP) on elderly patients of respiratory infections]. Kansenshogaku zasshi. The Journal of the Japanese Association for Infectious Diseases, Volume: 73, Issue: 1	1999
Biodegradation and aquatic toxicity of beta-alaninediacetic acid (beta-ADA). Chemosphere, Volume: 34, Issue: 4	1997
Toxic effects of beta-amyloid(25-35) on immortalised rat brain endothelial cell: protection by carnosine, homocarnosine and beta-alanine. Neuroscience letters, Feb-13, Volume: 242, Issue: 2	1998
Modulation of taurine levels in the rat liver alters methylene dianiline hepatotoxicity. Toxicology, Oct-19, Volume: 122, Issue: 3	1997
Reduction of liver taurine in rats by beta-alanine treatment increases carbon tetrachloride toxicity. Toxicology, Jan-29, Volume: 77, Issue: 1-2	1993
5-Ethynyluracil (776C85): protection from 5-fluorouracil-induced neurotoxicity in dogs. Biochemical pharmacology, Jul-19, Volume: 48, Issue: 2	1994
Effect of coadministration of uracil on the toxicity of tegafur. Journal of pharmaceutical sciences, Volume: 73, Issue: 2	1984
Beta-N-methylamino-L-alanine neurotoxicity: requirement for bicarbonate as a cofactor. Science (New York, N.Y.), Aug-19, Volume: 241, Issue: 4868	1988
Acute excitotoxicity in chick retina caused by the unusual amino acids BOAA and BMAA: effects of MK-801 and kynurenate. Neuroscience letters, Jul-31, Volume: 102, Issue: 2-3	1989
Neurotoxicity of beta-N-methylamino-L-alanine (BMAA) and beta-N-oxalylamino-L-alanine (BOAA) on cultured cortical neurons. Brain research, Sep-11, Volume: 497, Issue: 1	1989
Experimental neurotoxicity of 5-fluorouracil and its derivatives is due to poisoning by the monofluorinated organic metabolites, monofluoroacetic acid and alpha-fluoro-beta-alanine. Acta neuropathologica, Volume: 81, Issue: 1	1990
Excitotoxicity in the embryonic chick spinal cord. Annals of neurology, Volume: 30, Issue: 6	1991
[Studies on the efficacy and safety of panipenem/betamipron in infections in surgical domain and the safety when mixed with lactate containing infusion]. The Japanese journal of antibiotics, Volume: 45, Issue: 2	1992
[Studies on efficacy and safety of panipenem/betamipron against infections in pediatrics and on its movement to cerebrospinal fluid including cases of penicillin-resistant Streptococcus pneumoniae meningitis]. The Japanese journal of antibiotics, Volume: 45, Issue: 4	1992
Neurotoxicity of panipenem/betamipron, a new carbapenem, in rabbits: correlation to concentration in central nervous system. Journal of pharmacobio-dynamics, Volume: 15, Issue: 7	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Chronic Exposure to β-Alanine Generates Oxidative Stress and Alters Energy Metabolism in Cerebral Cortex and Cerebellum of Wistar Rats. Molecular neurobiology, Volume: 55, Issue: 6	2018
Approach to the new oral anticoagulants in family practice: part 2: addressing frequently asked questions. Canadian family physician Medecin de famille canadien, Volume: 60, Issue: 11	2014
[Clinical pharmacological aspects of new oral anticoagulants]. Therapeutische Umschau. Revue therapeutique, Volume: 69, Issue: 11	2012
Drug and dietary interactions of the new and emerging oral anticoagulants. International journal of clinical practice, Volume: 64, Issue: 7	2010
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Worse capecitabine treatment outcome in patients with a low skeletal muscle mass is not explained by altered pharmacokinetics. Cancer medicine, Volume: 10, Issue: 14	2021
Pilot Study of Corneal Clearance With the Use of a Rho-Kinase Inhibitor After Descemetorhexis Without Endothelial Keratoplasty for Fuchs Endothelial Corneal Dystrophy. Cornea, Jul-01, Volume: 40, Issue: 7	2021
Beta-Alanine and Tris-(hydroxyl methyl) Aminomethane as Peak Modifiers in the Development of RP-HPLC Methods Using Aceclofenac and Haloperidol Hydrochloride as Exemplar Drugs. Journal of chromatographic science, Oct-29, Volume: 59, Issue: 10	2021
Fragmented Dosing of β-alanine Induces A Body Weight-Independent Pharmacokinetic Response. Nutrients, Nov-23, Volume: 11, Issue: 12	2019
Estimation of Tumor Volumes by 11C-MeAIB and 18F-FDG PET in an Orthotopic Glioblastoma Rat Model. Journal of nuclear medicine : official publication, Society of Nuclear Medicine, Volume: 56, Issue: 10	2015
Effect of food preservatives on the hydration properties and taste behavior of amino acids: a volumetric and viscometric approach. Food chemistry, Aug-15, Volume: 181	2015
β-alanine Supplementation Fails to Increase Peak Aerobic Power or Ventilatory Threshold in Aerobically Trained Males. Journal of dietary supplements, Volume: 13, Issue: 2	2016
An evaluation of oral dabigatran etexilate pharmacokinetics and pharmacodynamics in hemodialysis. Journal of clinical pharmacology, Volume: 54, Issue: 8	2014
Glycine modulates membrane potential, cell volume, and phagocytosis in murine microglia. Amino acids, Volume: 46, Issue: 8	2014
Point-of-care coagulation testing for assessment of the pharmacodynamic anticoagulant effect of direct oral anticoagulant. Therapeutic drug monitoring, Volume: 36, Issue: 5	2014
Physiologically based pharmacokinetic modelling and in vivo [I]/K(i) accurately predict P-glycoprotein-mediated drug-drug interactions with dabigatran etexilate. British journal of pharmacology, Volume: 171, Issue: 4	2014
Importance of pharmacokinetic profile and variability as determinants of dose and response to dabigatran, rivaroxaban, and apixaban. The Canadian journal of cardiology, Volume: 29, Issue: 7 Suppl	2013
Performance of coagulation tests in patients on therapeutic doses of dabigatran: a cross-sectional pharmacodynamic study based on peak and trough plasma levels. Journal of thrombosis and haemostasis : JTH, Volume: 11, Issue: 8	2013
[Pharmacodynamic and pharmacokinetic characteristics. Mechanism of action of the new oral anticoagulants]. Medicina clinica, Volume: 139 Suppl 2	2012
Twice daily dosing of dabigatran for stroke prevention in atrial fibrillation: a pharmacokinetic justification. Current medical research and opinion, Volume: 28, Issue: 2	2012
Dabigatran etexilate in atrial fibrillation patients with severe renal impairment: dose identification using pharmacokinetic modeling and simulation. Journal of clinical pharmacology, Volume: 52, Issue: 9	2012
Short-duration beta-alanine supplementation increases training volume and reduces subjective feelings of fatigue in college football players. Nutrition research (New York, N.Y.), Volume: 28, Issue: 1	2008
Alternative pharmacokinetics of S-1 components, 5-fluorouracil, dihydrofluorouracil and alpha-fluoro-beta-alanine after oral administration of S-1 following total gastrectomy. Cancer science, Volume: 98, Issue: 10	2007
Pharmacokinetics of capecitabine (Xeloda) in Japanese and Caucasian patients with breast cancer. Cancer chemotherapy and pharmacology, Volume: 52, Issue: 3	2003
Population pharmacokinetics and concentration-effect relationships of capecitabine metabolites in colorectal cancer patients. British journal of clinical pharmacology, Volume: 55, Issue: 3	2003
The effect of heat shock on amino acid transport and cell volume in 3T3 cells. Amino acids, Volume: 20, Issue: 4	2001
[Comparison of pharmacokinetics of 5-FU and alpha-fluoro-beta-alanine, a metabolite of 5-FU, in plasma after administration of UFT, tegafur, 5-FU or doxifluridine to rats]. Gan to kagaku ryoho. Cancer & chemotherapy, Volume: 27, Issue: 6	2000
[Pharmacokinetics of panipenem in neonates and dosage recommendation]. The Japanese journal of antibiotics, Volume: 53, Issue: 4	2000
Effects of pentobarbital on pharmacokinetics and pharmacodynamics of a potent fibrinogen receptor antagonist, L-734,217, in dogs. Biopharmaceutics & drug disposition, Volume: 18, Issue: 8	1997
Responses of glutamine transport in cultured rat skeletal muscle to osmotically induced changes in cell volume. The Journal of physiology, May-01, Volume: 492 ( Pt 3)	1996
Influence of cloned voltage-gated K+ channel expression on alanine transport, Rb+ uptake, and cell volume. The American journal of physiology, Volume: 265, Issue: 5 Pt 1	1993
Contribution of organic and inorganic osmolytes to volume regulation in rat brain cells in culture. Neurochemical research, Volume: 18, Issue: 4	1993
Effect of pyrimidine nucleosides on body temperatures of man and rabbit in relation to pharmacokinetic data. Pharmaceutical research, Volume: 4, Issue: 2	1987
Taurine and cell volume maintenance in the shark rectal gland: cellular fluxes and kinetics. Biochimica et biophysica acta, Aug-04, Volume: 943, Issue: 1	1988
Ozone-induced accelerated lung clearance of 99mTc-DTPA aerosol in conscious sheep. Respiration physiology, Volume: 77, Issue: 3	1989
[Pharmacokinetics and clinical studies of panipenem/betamipron in the pediatric field]. The Japanese journal of antibiotics, Volume: 45, Issue: 4	1992
[Pharmacokinetic and clinical studies on panipenem/betamipron in the pediatric field]. The Japanese journal of antibiotics, Volume: 45, Issue: 3	1992
[Pharmacokinetic, bacteriological, and clinical studies on panipenem/betamipron in children]. The Japanese journal of antibiotics, Volume: 45, Issue: 3	1992
Prediction of human pharmacokinetics of panipenem-betamipron, a new carbapenem, from animal data. Antimicrobial agents and chemotherapy, Volume: 36, Issue: 9	1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Discovery of potent and orally bioavailable indazole-based glucagon receptor antagonists for the treatment of type 2 diabetes. Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue: 20	2019
Discovery of the ROCK inhibitor netarsudil for the treatment of open-angle glaucoma. Bioorganic & medicinal chemistry letters, 05-15, Volume: 26, Issue: 10	2016
Direct oral anticoagulants--pharmacology, drug interactions, and side effects. Seminars in hematology, Volume: 51, Issue: 2	2014
Carnosine: from exercise performance to health. Amino acids, Volume: 44, Issue: 6	2013
Carnosine and cancer: a perspective. Amino acids, Volume: 43, Issue: 1	2012
The effect of germination on antioxidant and nutritional parameters of protein isolates from grass pea (Lathyrus sativus) seeds. Food science and technology international = Ciencia y tecnologia de los alimentos internacional, Volume: 16, Issue: 1	2010
The proteolytic stability and cytotoxicity studies of L-aspartic acid and L-diaminopropionic acid derived beta-peptides and a mixed alpha/beta-peptide. Chemical biology & drug design, Volume: 73, Issue: 5	2009
Preclinical absorption, distribution, metabolism and excretion (ADME) characterization of ICAM1988, an LFA-1/ICAM antagonist, and its prodrug. Xenobiotica; the fate of foreign compounds in biological systems, Volume: 38, Issue: 3	2008
Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia. Journal of medicinal chemistry, Nov-01, Volume: 50, Issue: 22	2007
Crossing the blood-brain barrier: a potential application of myristoylated polyarginine for in vivo neuroimaging. NeuroImage, Oct-15, Volume: 28, Issue: 1	2005
Influence of oral beta-alanine and L-histidine supplementation on the carnosine content of the gluteus medius. Equine veterinary journal. Supplement, Issue: 30	1999
Analysis of metabolite kinetics by deconvolution and in vivo-in vitro correlations of metabolite formation rates: studies of fibrinogen receptor antagonist ester prodrugs. Journal of pharmaceutical sciences, Volume: 86, Issue: 12	1997
In vitro and in vivo evaluations of the metabolism, pharmacokinetics, and bioavailability of ester prodrugs of L-767,679, a potent fibrinogen receptor antagonist: an approach for the selection of a prodrug candidate. Drug metabolism and disposition: the biological fate of chemicals, Volume: 25, Issue: 8	1997
Interaction of taurine on baclofen intestinal absorption: a nonlinear mathematical treatment using differential equations to describe kinetic inhibition models. Journal of pharmaceutical sciences, Volume: 85, Issue: 11	1996
Nonpeptide glycoprotein IIb/IIIa inhibitors. 8. Antiplatelet activity and oral antithrombotic efficacy of L-734,217. The Journal of pharmacology and experimental therapeutics, Volume: 278, Issue: 1	1996
Partially competitive inhibition of intestinal baclofen absorption by beta-alanine, a nonessential dietary aminoacid. Biopharmaceutics & drug disposition, Volume: 12, Issue: 9	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Effects of beta-alanine supplementation on body composition: a GRADE-assessed systematic review and meta-analysis. Journal of the International Society of Sports Nutrition, Volume: 19, Issue: 1	2022
The Impact of Supplements on Sports Performance for the Trained Athlete: A Critical Analysis. Current sports medicine reports, Jul-01, Volume: 21, Issue: 7	2022
Dietary Supplements for Athletic Performance in Women: Beta-Alanine, Caffeine, and Nitrate. International journal of sport nutrition and exercise metabolism, Jul-01, Volume: 32, Issue: 4	2022
Engineering precursor and co-factor supply to enhance D-pantothenic acid production in Bacillus megaterium. Bioprocess and biosystems engineering, Volume: 45, Issue: 5	2022
A multicenter, open-label study of netarsudil for the reduction of elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension in a real-world setting. Current medical research and opinion, Volume: 37, Issue: 6	2021
Phase 2 Randomized Clinical Study of Netarsudil Ophthalmic Solution in Japanese Patients with Primary Open-Angle Glaucoma or Ocular Hypertension. Advances in therapy, Volume: 38, Issue: 4	2021
Effects of Beta-Alanine Supplementation on Physical Performance in Aerobic-Anaerobic Transition Zones: A Systematic Review and Meta-Analysis. Nutrients, Aug-19, Volume: 12, Issue: 9	2020
Effects of 0.02% netarsudil ophthalmic solution on intraocular pressure of normotensive dogs. Veterinary ophthalmology, Volume: 24 Suppl 1	2021
Fragmented Dosing of β-alanine Induces A Body Weight-Independent Pharmacokinetic Response. Nutrients, Nov-23, Volume: 11, Issue: 12	2019
Discovery of potent and orally bioavailable indazole-based glucagon receptor antagonists for the treatment of type 2 diabetes. Bioorganic & medicinal chemistry letters, 10-15, Volume: 29, Issue: 20	2019
Long-term Safety and Ocular Hypotensive Efficacy Evaluation of Netarsudil Ophthalmic Solution: Rho Kinase Elevated IOP Treatment Trial (ROCKET-2). American journal of ophthalmology, Volume: 200	2019
The effect of two β-alanine dosing strategies on 30-minute rowing performance: a randomized, controlled trial. Journal of the International Society of Sports Nutrition, Dec-18, Volume: 15, Issue: 1	2018
Netarsudil ophthalmic solution 0.02% for the treatment of patients with open-angle glaucoma or ocular hypertension. Drugs of today (Barcelona, Spain : 1998), Volume: 54, Issue: 8	2018
Efficacy and safety of the glucagon receptor antagonist PF-06291874: A 12-week, randomized, dose-response study in patients with type 2 diabetes mellitus on background metformin therapy. Diabetes, obesity & metabolism, Volume: 20, Issue: 11	2018
The Effects of Netarsudil Ophthalmic Solution on Aqueous Humor Dynamics in a Randomized Study in Humans. Journal of ocular pharmacology and therapeutics : the official journal of the Association for Ocular Pharmacology and Therapeutics, Volume: 34, Issue: 5	2018
Beta-Alanine Does Not Enhance the Effects of Resistance Training in Older Adults. Journal of dietary supplements, Nov-02, Volume: 15, Issue: 6	2018
Two Phase 3 Clinical Trials Comparing the Safety and Efficacy of Netarsudil to Timolol in Patients With Elevated Intraocular Pressure: Rho Kinase Elevated IOP Treatment Trial 1 and 2 (ROCKET-1 and ROCKET-2). American journal of ophthalmology, Volume: 186	2018
Attenuation of intestinal ischemia-reperfusion-injury by β-alanine: a potentially glycine-receptor mediated effect. The Journal of surgical research, 05-01, Volume: 211	2017
Discovery of the ROCK inhibitor netarsudil for the treatment of open-angle glaucoma. Bioorganic & medicinal chemistry letters, 05-15, Volume: 26, Issue: 10	2016
Effects of multiple ascending doses of the glucagon receptor antagonist PF-06291874 in patients with type 2 diabetes mellitus. Diabetes, obesity & metabolism, Volume: 18, Issue: 8	2016
Efficacy of Dabigatran for Dissolving Deep Vein Thromboses in Outpatients With a Deteriorated General Condition. International heart journal, Volume: 56, Issue: 4	2015
Use of Thromboelastography (TEG) for Detection of New Oral Anticoagulants. Archives of pathology & laboratory medicine, Volume: 139, Issue: 5	2015
Effect of AR-13324 on episcleral venous pressure in Dutch belted rabbits. Journal of ocular pharmacology and therapeutics : the official journal of the Association for Ocular Pharmacology and Therapeutics, Volume: 31, Issue: 3	2015
[Effects of ß-alanine supplementation on athletic performance]. Nutricion hospitalaria, Oct-06, Volume: 31, Issue: 1	2014
[Advantages and disadvantages of warfarin and pradaxa therapy for venous thromboembolism]. Vestnik khirurgii imeni I. I. Grekova, Volume: 173, Issue: 4	2014
Risk of major bleeding in different indications for new oral anticoagulants: insights from a meta-analysis of approved dosages from 50 randomized trials. International journal of cardiology, Jan-20, Volume: 179	2015
Does dabigatran increase the risk of delayed hematoma expansion in a rat model of collagenase-induced intracerebral hemorrhage? Journal of stroke and cerebrovascular diseases : the official journal of National Stroke Association, Volume: 24, Issue: 2	2015
Approach to the new oral anticoagulants in family practice: part 1: comparing the options. Canadian family physician Medecin de famille canadien, Volume: 60, Issue: 11	2014
Double-masked, randomized, dose-response study of AR-13324 versus latanoprost in patients with elevated intraocular pressure. Ophthalmology, Volume: 122, Issue: 2	2015
Antithrombotic triple therapy and coagulation activation at the site of thrombus formation: a randomized trial in healthy subjects. Journal of thrombosis and haemostasis : JTH, Volume: 12, Issue: 11	2014
Pharmacology and safety of new oral anticoagulants: the challenge of bleeding persists. Clinics in laboratory medicine, Volume: 34, Issue: 3	2014
Dabigatran: patient management in specific clinical settings. Wiener klinische Wochenschrift, Volume: 126, Issue: 17-18	2014
Management of the bleeding patient receiving new oral anticoagulants: a role for prothrombin complex concentrates. BioMed research international, Volume: 2014	2014
Evaluation of Trends of Inpatient Hospitalisation for Significant Haemorrhage in Patients Anticoagulated for Atrial Fibrillation before and after the Release of Novel Anticoagulants. Heart, lung & circulation, Volume: 24, Issue: 1	2015
Continuation of dabigatran therapy in "real-world" practice in Hong Kong. PloS one, Volume: 9, Issue: 8	2014
An observational case series of dabigatran and rivaroxaban exposures reported to a poison control system. The American journal of emergency medicine, Volume: 32, Issue: 9	2014
Primary prevention of ischaemic stroke in atrial fibrillation: new oral anticoagulant drugs for all? Current vascular pharmacology, Volume: 12, Issue: 3	2014
Stroke prevention in patients with atrial fibrillation in France: comparative cost-effectiveness of new oral anticoagulants (apixaban, dabigatran, and rivaroxaban), warfarin, and aspirin. Journal of medical economics, Volume: 17, Issue: 8	2014
Warfarin or dabigatran for treatment of atrial fibrillation. Journal of thrombosis and haemostasis : JTH, Volume: 12, Issue: 7	2014
Measurement of the direct oral anticoagulants apixaban, dabigatran, edoxaban, and rivaroxaban in human plasma using turbulent flow liquid chromatography with high-resolution mass spectrometry. Therapeutic drug monitoring, Volume: 36, Issue: 5	2014
Benefit-risk assessment of dabigatran in the treatment of stroke prevention in non-valvular atrial fibrillation. Drug safety, Volume: 37, Issue: 5	2014
Direct oral anticoagulants in the treatment and long-term prevention of venous thrombo-embolism. European heart journal, Jul-21, Volume: 35, Issue: 28	2014
Impaired renal function and bleeding in elderly treated with dabigatran. Blood coagulation & fibrinolysis : an international journal in haemostasis and thrombosis, Volume: 25, Issue: 6	2014
New oral anticoagulants in practice: pharmacological and practical considerations. American journal of cardiovascular drugs : drugs, devices, and other interventions, Volume: 14, Issue: 3	2014
Dabigatran use in mechanical heart valve patients. Future cardiology, Volume: 10, Issue: 1	2014
New oral anticoagulants and regional anaesthesia. British journal of anaesthesia, Volume: 111 Suppl 1	2013
Efficacy and safety of dabigatran compared with warfarin in relation to baseline renal function in patients with atrial fibrillation: a RE-LY (Randomized Evaluation of Long-term Anticoagulation Therapy) trial analysis. Circulation, Mar-04, Volume: 129, Issue: 9	2014
New oral anticoagulants: their role and future. Clinical medicine (London, England), Volume: 13 Suppl 6	2013
Early adoption of dabigatran and its dosing in US patients with atrial fibrillation: results from the outcomes registry for better informed treatment of atrial fibrillation. Journal of the American Heart Association, Nov-25, Volume: 2, Issue: 6	2013
Outpatient management of oral anticoagulation in atrial fibrillation. Critical care nursing clinics of North America, Volume: 25, Issue: 4	2013
Evaluation of dabigatran utilization and risk among hospitalized patients. The Annals of pharmacotherapy, Volume: 48, Issue: 3	2014
[Severe thrombosis of bioprosthesis mitral valve after dabigatran]. Turk Kardiyoloji Dernegi arsivi : Turk Kardiyoloji Derneginin yayin organidir, Volume: 41, Issue: 6	2013
Cost-effectiveness of pharmacogenetics-guided warfarin therapy vs. alternative anticoagulation in atrial fibrillation. Clinical pharmacology and therapeutics, Volume: 95, Issue: 2	2014
A comparison of methods for estimating glomerular filtration rate for a population in Hawai'i with non-valvular atrial fibrillation. Hawai'i journal of medicine & public health : a journal of Asia Pacific Medicine & Public Health, Volume: 72, Issue: 9 Suppl 4	2013
[Management of major bleeding complications and emergency surgery in patients on long-term treatment with direct oral anticoagulants, thrombin or factor-Xa inhibitors. Proposals of the Working Group on Perioperative Haemostasis (GIHP) - March 2013]. Annales francaises d'anesthesie et de reanimation, Volume: 32, Issue: 10	2013
Novel oral anticoagulants: a review of new agents. Postgraduate medicine, Volume: 125, Issue: 4	2013
Safety and efficacy of dabigatran versus warfarin in patients undergoing catheter ablation of atrial fibrillation: a systematic review and meta-analysis. Heart (British Cardiac Society), Volume: 100, Issue: 4	2014
New alternative anticoagulants in atrial fibrillation: the move beyond warfarin. Reviews on recent clinical trials, Volume: 8, Issue: 2	2013
Dabigatran compared with warfarin in patients with atrial fibrillation and symptomatic heart failure: a subgroup analysis of the RE-LY trial. European journal of heart failure, Volume: 15, Issue: 9	2013
Stroke prevention in atrial fibrillation patients with chronic kidney disease. The Canadian journal of cardiology, Volume: 29, Issue: 7 Suppl	2013
Importance of pharmacokinetic profile and variability as determinants of dose and response to dabigatran, rivaroxaban, and apixaban. The Canadian journal of cardiology, Volume: 29, Issue: 7 Suppl	2013
Recommendations for the emergency management of complications associated with the new direct oral anticoagulants (DOACs), apixaban, dabigatran and rivaroxaban. Clinical research in cardiology : official journal of the German Cardiac Society, Volume: 102, Issue: 6	2013
Dabigatran for the prevention of stroke and systemic embolism in atrial fibrillation: A NICE single technology appraisal. PharmacoEconomics, Volume: 31, Issue: 7	2013
Novel oral anticoagulants: clinical pharmacology, indications and practical considerations. European journal of clinical pharmacology, Volume: 69, Issue: 9	2013
Modeling of the impact on health outcomes of the use of dabigatran in patients with atrial fibrillation. Cerebrovascular diseases (Basel, Switzerland), Volume: 35, Issue: 4	2013
Micronucleus induction in the bone marrow of rats by pharmacological mechanisms. II: long-acting beta-2 agonism. Mutagenesis, Volume: 28, Issue: 2	2013
Effective elimination of dabigatran by haemodialysis. A phase I single-centre study in patients with end-stage renal disease. Thrombosis and haemostasis, Volume: 109, Issue: 4	2013
Thrombin inhibitors: surgical considerations and pharmacology. ANZ journal of surgery, Volume: 83, Issue: 4	2013
Cost-effectiveness of dabigatran for stroke prevention in atrial fibrillation in Switzerland. Swiss medical weekly, Volume: 143	2013
Anti-diabetic efficacy and impact on amino acid metabolism of GRA1, a novel small-molecule glucagon receptor antagonist. PloS one, Volume: 7, Issue: 11	2012
Dabigatran for anticoagulation in atrial fibrillation - early clinical experience in a hospital population and comparison to trial data. Heart, lung & circulation, Volume: 22, Issue: 1	2013
The laboratory and the new oral anticoagulants. Clinical chemistry, Volume: 59, Issue: 2	2013
Laboratory tests and the new oral anticoagulants. Thrombosis research, Volume: 130 Suppl 1	2012
Differences in intraprocedural ACTs with standardized heparin dosing during catheter ablation for atrial fibrillation in patients treated with dabigatran vs. patients on uninterrupted warfarin. Journal of interventional cardiac electrophysiology : an international journal of arrhythmias and pacing, Volume: 35, Issue: 3	2012
[The new anticoagulants - their role in secondary prevention of thromboembolism after stroke]. Therapeutische Umschau. Revue therapeutique, Volume: 69, Issue: 9	2012
Dabigatran versus rivaroxaban for the prevention of stroke and systemic embolism in atrial fibrillation in Canada. Comparative efficacy and cost-effectiveness. Thrombosis and haemostasis, Volume: 108, Issue: 4	2012
Analysis of the projected utility of dabigatran, rivaroxaban, and apixaban and their future impact on existing Hematology and Cardiology Anticoagulation Clinics at The Johns Hopkins Hospital. Journal of thrombosis and thrombolysis, Volume: 34, Issue: 4	2012
Dabigatran: rational dose individualisation and monitoring guidance is needed. The New Zealand medical journal, Jun-29, Volume: 125, Issue: 1357	2012
Ergogenic effects of β-alanine and carnosine: proposed future research to quantify their efficacy. Nutrients, Volume: 4, Issue: 7	2012
The effects of direct thrombin inhibition with dabigatran on plaque formation and endothelial function in apolipoprotein E-deficient mice. The Journal of pharmacology and experimental therapeutics, Volume: 343, Issue: 2	2012
[New oral anticoagulants for the prevention of stroke. Open questions in geriatric patients]. Zeitschrift fur Gerontologie und Geriatrie, Volume: 45, Issue: 6	2012
Determination of the anti-F10a or anti-F2a generation action of rivaroxaban or dabigatran. Blood coagulation & fibrinolysis : an international journal in haemostasis and thrombosis, Volume: 23, Issue: 7	2012
Cost-effectiveness of dabigatran versus genotype-guided management of warfarin therapy for stroke prevention in patients with atrial fibrillation. PloS one, Volume: 7, Issue: 6	2012
Dabigatran for stroke prevention in atrial fibrillation. Hamostaseologie, Volume: 32, Issue: 3	2012
Newer oral anticoagulant agents: a new era in medicine. Current cardiology reviews, Volume: 8, Issue: 2	2012
Dabigatran for the prevention of thromboembolic complications in the elderly: a RE-LY-able alternative to warfarin? The Consultant pharmacist : the journal of the American Society of Consultant Pharmacists, Volume: 27, Issue: 6	2012
Characteristics of AZD9708, a novel, selective β2-adrenoceptor agonist with rapid onset and long duration of action. Pulmonary pharmacology & therapeutics, Volume: 25, Issue: 4	2012
Prevention of stroke in patients with atrial fibrillation: anticoagulant and antiplatelet options. Journal of interventional cardiac electrophysiology : an international journal of arrhythmias and pacing, Volume: 35, Issue: 1	2012
Sphingosine-1-phosphate-induced airway hyper-reactivity in rodents is mediated by the sphingosine-1-phosphate type 3 receptor. The Journal of pharmacology and experimental therapeutics, Volume: 342, Issue: 2	2012
Dabigatran: a new chapter in anticoagulation. Cardiovascular & hematological agents in medicinal chemistry, Volume: 10, Issue: 2	2012
Optimizing human in vivo dosing and delivery of β-alanine supplements for muscle carnosine synthesis. Amino acids, Volume: 43, Issue: 1	2012
Twice daily dosing of dabigatran for stroke prevention in atrial fibrillation: a pharmacokinetic justification. Current medical research and opinion, Volume: 28, Issue: 2	2012
Dabigatran use in a postoperative coronary artery bypass surgery patient with nonvalvular atrial fibrillation and heparin-PF4 antibodies. The Annals of pharmacotherapy, Volume: 46, Issue: 1	2012
Effects of dabigatran in vitro on thrombin biomarkers by Calibrated Automated Thrombography in patients after ischemic stroke. Journal of thrombosis and thrombolysis, Volume: 33, Issue: 1	2012
Advances in anticoagulation: focus on dabigatran, an oral direct thrombin inhibitor. Journal of cardiothoracic and vascular anesthesia, Volume: 25, Issue: 6	2011
Preventing cardioembolic stroke in atrial fibrillation with dabigatran. Current neurology and neuroscience reports, Volume: 12, Issue: 1	2012
Clinical pharmacology basis of deriving dosing recommendations for dabigatran in patients with severe renal impairment. Journal of clinical pharmacology, Volume: 52, Issue: 1 Suppl	2012
Dabigatran etexilate in atrial fibrillation patients with severe renal impairment: dose identification using pharmacokinetic modeling and simulation. Journal of clinical pharmacology, Volume: 52, Issue: 9	2012
Anticoagulating obese patients in the modern era. British journal of haematology, Volume: 155, Issue: 2	2011
Effect of two β-alanine dosing protocols on muscle carnosine synthesis and washout. Amino acids, Volume: 42, Issue: 6	2012
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

beta-alanine

Cross-References

Synonyms (123)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (5)

Drug Classes (2)

Pathways (29)

Protein Targets (17)

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Biological Processes (38)

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Ceullar Components (16)

Bioassays (40)

Research

Studies (3,073)

Study Types

Research Highlights

Safety/Toxicity (80)

Long-term Use (4)

Pharmacokinetics (36)

Bioavailability (17)

Dosage (143)

Interactions (7)

Article	Year
[Cell metabolomics study of ginkgo flavone aglycone combined with doxorubicin against liver cancer in synergy]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, Volume: 47, Issue: 18	2022
The effect of multi-ingredient intra- versus extra-cellular buffering supplementation combined with branched-chain amino acids and creatine on exercise-induced ammonia blood concentration and aerobic capacity in taekwondo athletes. Journal of the International Society of Sports Nutrition, Jun-14, Volume: 18, Issue: 1	2021
Physiologically based pharmacokinetic modelling and in vivo [I]/K(i) accurately predict P-glycoprotein-mediated drug-drug interactions with dabigatran etexilate. British journal of pharmacology, Volume: 171, Issue: 4	2014
The ergogenic effect of beta-alanine combined with sodium bicarbonate on high-intensity swimming performance. Applied physiology, nutrition, and metabolism = Physiologie appliquee, nutrition et metabolisme, Volume: 38, Issue: 5	2013
Evaluating and assessing dabigatran drug interactions. The Consultant pharmacist : the journal of the American Society of Consultant Pharmacists, Volume: 27, Issue: 7	2012
[Drug interactions between nonsteroidal anti-inflammatory drug and pazufloxacin mesilate, a new quinolone antibacterial agent for intravenous use: convulsions in mice after intravenous or intracerebroventricular administration]. The Japanese journal of antibiotics, Volume: 55, Issue: 3	2002
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

beta-alanine

Cross-References

Synonyms (123)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (5)

Drug Classes (2)

Pathways (29)

Protein Targets (17)

Potency Measurements

Inhibition Measurements

Biological Processes (38)

Molecular Functions (38)

Ceullar Components (16)

Bioassays (40)

Research

Studies (3,073)

Study Types

Related Drugs (1,914)

Related Conditions (2,820)

Research Highlights

Safety/Toxicity (80)

Long-term Use (4)

Pharmacokinetics (36)

Bioavailability (17)

Dosage (143)

Interactions (7)