Compounds > sphingosine
Page last updated: 2024-08-01 07:45:25

sphingosine

Description

sphingosine : A sphing-4-enine in which the double bond is trans. [CHeBI]

Cross-References

ID SourceID
PubMed CID5280335
CHEMBL ID67166
SCHEMBL ID1471985
SCHEMBL ID19398
CHEBI ID16393
CHEBI ID26743
MeSH IDM0020302

Synonyms (133)

Synonym
MLS002172450
trans-d-erythro-2-amino-4-octadecene-1,3-diol
(2s,3r)-(e)-2-amino-1,3-dihydroxy-4-octadecene
CHEBI:16393 ,
d-(+)-erythro-1,3-dihydroxy-2-amino-4-trans-octadecene
trans-4-sphingenine
sphingosin
(e)-d-erythro-4-octadecene-1,3-diol
c18 sphingosine
sphingosine d18:1
(4e)-sphingenine
(2s,3r,4e)-2-aminooctadec-4-ene-1,3-diol
(2s,3r,4e)-2-amino-4-octadecene-1,3-diol
(2s,3r,4e)-2-amino-3-hydroxyoctadec-4-ene-1-ol
(e)-2-amino-4-octadecan-1,3-diol
LOPAC0_001049
IDI1_033996
BIOMOLKI_000034
LMSP01010001
2s-amino-4e-octadecene-1,3r-diol
BIOMOLKI2_000042
BSPBIO_001526
smr000857107
MLS001332469
MLS001332470
(2s,3r)-sphingosine
4-trans-sphingenine
c18-sphingosine
4-octadecene-1,3-diol, 2-amino-, [r-[r*,s*-(e)]]-
d-erythro-c18-sphingosine
4-octadecene-1,3-diol, 2-amino-, (2s,3r,4e)-
d-sphingosine
erythro-4-sphingenine
d-(+)-erytho-4-trans-sphingenine
(-)-d-erythro-sphingosine
4-sphingenine
erythro-c18-sphingosine
4-octadecene-1,3-diol, 2-amino-, (e)-d-erythro- (8ci)
4-octadecene-1,3-diol, 2-amino-, (2s,3r,4e)- (9ci)
4-octadecene-1,3-diol, 2-amino-, (r-(r*,s*-(e)))
ccris 6899
SPHINGOSINE ,
sphingoid
d-erythro-sphingosine
sphing-4-enine
123-78-4
C00319
sphingenine
2-amino-4-octadecene-1,3-diol
d-sphingosine, synthetic
DB03203
NCGC00024697-03
NCGC00024697-06
2-aminooctadec-4-ene-1,3-diol
CHEBI:26743
NCGC00024697-05
(2s,3r)-2-aminooctadec-4-ene-1,3-diol
NCGC00024697-07
NCGC00024697-02
NCGC00024697-04
gtpl2452
d-erythrosphingosine
4-octadecene-1,3-diol, 2-amino-, (r-(r*,s*-(e)))-
HMS1989M08
E66DE871-3B37-406A-891B-A804BDC7ABF9
CHEMBL67166 ,
BML3-C09
BMK1-D10
HMS1361M08
HMS1791M08
(e,2s,3r)-2-aminooctadec-4-ene-1,3-diol
BMSE000850
SCHEMBL1471985
HMS2232M04
CCG-100638
MLS-0412588.0001 ,
2733-29-1
4-octadecene-1,3-diol, 2-amino-, (r*,s*-(e))-(+)-
4-octadecene-1,3-diol, 2-amino-, (r*,s*-(e))-
c18-erythro-sphingenine
dl-erythro-sphingosine
erythro-dl-sphingosine
0y6svq612q ,
unii-0y6svq612q
4-octadecene-1,3-diol, 2-amino-, (2r,3s,4e)-rel-
4-octadecene-1,3-diol, 2-amino-, (e)-dl-erythro-
unii-ngz37hre42
ngz37hre42 ,
einecs 204-651-3
erythro-sphingosine, (+/-)-
4-octadecene-1,3-diol, 2-amino-, (e)-d-erythro-
(-)-sphingosine
4-octadecene-1,3-diol, 2-amino-, (r*,s*-(e))-(+/-)-
dl-erythro-sphingosine [mi]
sphingosine [mi]
S2210
EI-155
SCHEMBL19398
d-erythro-sphingosine (synthetic)
cid_5280335
(e,2s,3r)-2-azanyloctadec-4-ene-1,3-diol
(e,2s,3r)-2-amino-4-octadecene-1,3-diol
bdbm83205
sphingosine, c18 chain
HB0239
AC-28329
AKOS024458590
HMS3650M05
HMS3402M08
(2s,3r,e)-2-amino-4-octadecene-1,3-diol
S0874
erythrosphingosine; erythro-c18-sphingosine; trans-4-sphingenine
mfcd00036751
(2s,3r)-2-amino-4-octadecene-1,3-diol
J-004983
sr-01000597656
SR-01000597656-1
d-sphingosine, >=98.0% (tlc)
AS-66175
d-sphingosine, from bovine brain, ~99% (tlc)
[r-[r*,s*-(e)]]-2-amino-4-octadecene-1,3-diol
HY-101047
CS-0020759
sphingosine (d18:1), d-erythro-sphingosine, powder
brain sphingosine, d-erythro-sphingosine (brain, porcine), powder
(2s,3r,e)-2-aminooctadec-4-ene-1,3-diol
d-erythro-spinghosine
DTXSID90861763
89164-20-5
F20671
EX-A1428
Q46298
A901185

Roles (2)

RoleDescription
human metaboliteAny mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metaboliteAny mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

Drug Classes (1)

ClassDescription
sphing-4-enineA sphingenine in which the C=C double bond is located at the 4-position.

Pathways (9)

sphingosine is involved in 9 pathway(s), involving a total of 168 unique proteins and 715 unique compounds

PathwayProteinsCompounds
Sphingolipid metabolism (integrated pathway)1167
Sphingolipid metabolism overview415
Sphingolipid metabolism: integrated pathway163
SARS-CoV-2 and COVID-19 pathway153
GDNF signaling1338
Synthesis of ceramides and 1-deoxyceramides115
Sphingolipid pathway315
Biochemical pathways: part I0466
Sphingolipids metabolism pathway063

Protein Targets (44)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Chain A, Ferritin light chainEquus caballus (horse)Potency25.1189AID2323; AID485281
Chain A, CruzipainTrypanosoma cruziPotency31.6228AID1476
LuciferasePhotinus pyralis (common eastern firefly)Potency33.8078AID588342
acid sphingomyelinaseHomo sapiens (human)Potency70.7946AID504937
endonuclease IVEscherichia coliPotency15.8489AID1708
phosphopantetheinyl transferaseBacillus subtilisPotency79.4328AID1490
ATAD5 protein, partialHomo sapiens (human)Potency14.1254AID504467
USP1 protein, partialHomo sapiens (human)Potency44.6684AID743255
TDP1 proteinHomo sapiens (human)Potency9.6946AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency39.8107AID1460
apical membrane antigen 1, AMA1Plasmodium falciparum 3D7Potency11.2202AID720542
glucocerebrosidaseHomo sapiens (human)Potency13.5089AID2101
alpha-galactosidaseHomo sapiens (human)Potency4.4668AID2107
IDH1Homo sapiens (human)Potency29.0929AID686970
Bloom syndrome protein isoform 1Homo sapiens (human)Potency44.6684AID2364; AID2528
vitamin D3 receptor isoform VDRAHomo sapiens (human)Potency56.2341AID504847
thyroid hormone receptor beta isoform aHomo sapiens (human)Potency0.6310AID1479
potassium voltage-gated channel subfamily H member 2 isoform dHomo sapiens (human)Potency35.4813AID588834
DNA polymerase betaHomo sapiens (human)Potency35.4813AID485314
mitogen-activated protein kinase 1Homo sapiens (human)Potency22.3872AID1454
DNA polymerase eta isoform 1Homo sapiens (human)Potency35.4813AID588591
DNA polymerase iota isoform a (long)Homo sapiens (human)Potency89.1251AID588590
gemininHomo sapiens (human)Potency15.1741AID463097; AID624296; AID624297
lamin isoform A-delta10Homo sapiens (human)Potency15.0654AID1459; AID1487

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
C-X-C chemokine receptor type 5 isoform 1Homo sapiens (human)IC5032.4940AID540340
ubiquitin-conjugating enzyme E2 NHomo sapiens (human)IC506.3125AID493155; AID493182
C-C chemokine receptor type 6Homo sapiens (human)IC5020.9000AID540334
apelin receptorHomo sapiens (human)IC5066.6000AID588359
bcl-2-related protein A1Mus musculus (house mouse)IC5020.0000AID504689
Protein kinase C alpha typeRattus norvegicus (Norway rat)IC5040.0000AID164979; AID165112; AID165117
Protein kinase C delta typeRattus norvegicus (Norway rat)IC5034.3333AID165112; AID165117
Protein kinase C epsilon typeRattus norvegicus (Norway rat)IC5034.3333AID165112; AID165117
Protein kinase C zeta typeRattus norvegicus (Norway rat)IC5034.3333AID165112; AID165117
cAMP-dependent protein kinase catalytic subunit alpha Rattus norvegicus (Norway rat)IC500.0980AID164615
Protein kinase C gamma typeRattus norvegicus (Norway rat)IC5040.0000AID164979; AID165112; AID165117
Protein kinase C beta typeRattus norvegicus (Norway rat)IC5040.0000AID164979; AID165112; AID165117
Protein kinase C eta typeRattus norvegicus (Norway rat)IC5034.3333AID165112; AID165117
Sphingosine kinase 2Homo sapiens (human)IC501.5600AID420342
Sphingosine kinase 1Homo sapiens (human)IC503.8600AID420341
Protein kinase C theta typeRattus norvegicus (Norway rat)IC5034.3333AID165112; AID165117

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
streptokinase A precursorStreptococcus pyogenes M1 GASEC5076.2800AID1902; AID1914
Estrogen receptorRattus norvegicus (Norway rat)EC50150.0000AID1914
Estrogen receptor betaRattus norvegicus (Norway rat)EC50150.0000AID1914

Other Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Endoglycoceramidase II Rhodococcus sp. (in: high G+C Gram-positive bacteria)Km631.4286AID499000; AID499001; AID499002; AID499003; AID499004; AID499005; AID499006; AID499007; AID499008; AID499009; AID499010; AID499011; AID499012; AID499013

Bioassays (87)

Assay IDTitleYearJournalArticle
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
ISSN: 1552-4922		Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
ISSN: 1557-8127		High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
ISSN: 1945-7170		A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
ISSN: 1872-9096		High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1627821Downregulation of CD98 expression level in mouse FL5.12A cells at 2.5 uM measured at 3 hrs by flow cytometric analysis2016Bioorganic & medicinal chemistry, 09-15, Volume: 24, Issue:18
ISSN: 1464-3391		Effects of stereochemistry, saturation, and hydrocarbon chain length on the ability of synthetic constrained azacyclic sphingolipids to trigger nutrient transporter down-regulation, vacuolation, and cell death.
AID499003Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 I183F mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499024Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 N334S mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499004Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 I276F mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499005Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 T257I T416A mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499010Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 D314Y mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID401373Antimicrobial activity against Prorocentrum micans at 5 ppm1998Journal of natural products, Jun-26, Volume: 61, Issue:6
ISSN: 0163-3864		New ceramide from marine sponge Haliclona koremella and related compounds as antifouling substances against macroalgae.
AID464144Antifungal activity against Candida glabrata by broth microdilution method2010Bioorganic & medicinal chemistry letters, Mar-15, Volume: 20, Issue:6
ISSN: 1464-3405		Synthesis and chain-dependent antifungal activity of long-chain 2H-azirine-carboxylate esters related to dysidazirine.
AID357403Resistance index, ratio of IC50 for 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant human Jurkat SBR1 mutant cells to IC50 for human wild type Jurkat cells2007The Journal of biological chemistry, May-25, Volume: 282, Issue:21
ISSN: 0021-9258		Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues.
AID164979In vitro inhibition of [32P] incorporation into histones by rat brain partially purified Protein kinase C in the presence of PMA, [Ca2+] and phosphatidylserine.1991Journal of medicinal chemistry, Sep, Volume: 34, Issue:9
ISSN: 0022-2623		Substituted 2-(aminomethyl)piperidines: a novel class of selective protein kinase C inhibitors.
AID499023Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 G370E mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499007Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 V269I G370R mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499012Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 A153T D314Y mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499008Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 G370E mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499009Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 N334S mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID101364Median growth inhibitory concentration of compound tested in vitro against human leukemia 60 cells2000Bioorganic & medicinal chemistry letters, Jan-03, Volume: 10, Issue:1
ISSN: 0960-894X		Antitumour activity of sphingoid base adducts of phenethyl isothiocyanate.
AID499022Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 V269I G370R mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499006Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 V269I mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID390922Antibacterial activity against methicillin-resistant Staphylococcus aureus2008Journal of medicinal chemistry, Oct-09, Volume: 51, Issue:19
ISSN: 1520-4804		Design, synthesis, and antibacterial activities of neomycin-lipid conjugates: polycationic lipids with potent gram-positive activity.
AID49951Fungistatic activity of bifunctional sphingolipids against Candida glabrata at a concentration of 5 ug/mL before dilution replating; growth in media2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID681583TP_TRANSPORTER: cell accumulation (digoxin-sensitive) in Caco-2 cells2004Bioscience, biotechnology, and biochemistry, Dec, Volume: 68, Issue:12
ISSN: 0916-8451		Efflux of sphingoid bases by P-glycoprotein in human intestinal Caco-2 cells.
AID49963Minimum inhibitory concentration against Candida glabrata2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID401370Antifouling activity against Ulva conglobata spores assessed as germination and attachment rate at 5 ppm1998Journal of natural products, Jun-26, Volume: 61, Issue:6
ISSN: 0163-3864		New ceramide from marine sponge Haliclona koremella and related compounds as antifouling substances against macroalgae.
AID165117Displacement of [3H]PDBU from protein kinase C1994Journal of medicinal chemistry, Jan-07, Volume: 37, Issue:1
ISSN: 0022-2623		New hexahydroxybiphenyl derivatives as inhibitors of protein kinase C.
AID401376Antimicrobial activity against Oscillatoria amphibia at 5 ppm1998Journal of natural products, Jun-26, Volume: 61, Issue:6
ISSN: 0163-3864		New ceramide from marine sponge Haliclona koremella and related compounds as antifouling substances against macroalgae.
AID390921Antibacterial activity against Staphylococcus aureus2008Journal of medicinal chemistry, Oct-09, Volume: 51, Issue:19
ISSN: 1520-4804		Design, synthesis, and antibacterial activities of neomycin-lipid conjugates: polycationic lipids with potent gram-positive activity.
AID357404Resistance index, ratio of IC50 for 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant human Jurkat SBR2 mutant cells to IC50 for human wild type Jurkat cells2007The Journal of biological chemistry, May-25, Volume: 282, Issue:21
ISSN: 0021-9258		Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues.
AID499002Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 R177H mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID305218Effect on rate of phosphorylation of human recombinant SPHK1 expressed in HEK293 cells2007Bioorganic & medicinal chemistry letters, Jan-15, Volume: 17, Issue:2
ISSN: 0960-894X		Constrained azacyclic analogues of the immunomodulatory agent FTY720 as molecular probes for sphingosine 1-phosphate receptors.
AID1627822Induction of vacuolation in mouse FL5.12A cells assessed as vacuolation score at 2.5 uM measured at 3 hrs by fluorescence microscopic analysis2016Bioorganic & medicinal chemistry, 09-15, Volume: 24, Issue:18
ISSN: 1464-3391		Effects of stereochemistry, saturation, and hydrocarbon chain length on the ability of synthetic constrained azacyclic sphingolipids to trigger nutrient transporter down-regulation, vacuolation, and cell death.
AID1627820Cytotoxicity against mouse FL5.12A cells after 48 hrs by DAPI staining-based flow cytometric analysis2016Bioorganic & medicinal chemistry, 09-15, Volume: 24, Issue:18
ISSN: 1464-3391		Effects of stereochemistry, saturation, and hydrocarbon chain length on the ability of synthetic constrained azacyclic sphingolipids to trigger nutrient transporter down-regulation, vacuolation, and cell death.
AID499011Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 P394S mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID49947Fungistatic activity of bifunctional sphingolipids against Candida glabrata at a concentration of 12 ug/mL before dilution replating; growth in media2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID499028Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 A153T D314Y R177H mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499027Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 A153T D314Y mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID49826Fungistatic activity of bifunctional sphingolipids against Candida glabrata at a concentration of 0.3 ug/mL before dilution replating; growth in media2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID499015Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 A81E mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID49827Fungistatic activity of bifunctional sphingolipids against Candida glabrata at a concentration of 10 ug/mL before dilution replating; growth in media2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID499000Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 A81E mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499001Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 A153T mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID390923Antibacterial activity against Escherichia coli2008Journal of medicinal chemistry, Oct-09, Volume: 51, Issue:19
ISSN: 1520-4804		Design, synthesis, and antibacterial activities of neomycin-lipid conjugates: polycationic lipids with potent gram-positive activity.
AID499014Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 containing wild type sequence E351S2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID101365Median toxic concentration of compound tested in vitro against human leukemia 60 cells2000Bioorganic & medicinal chemistry letters, Jan-03, Volume: 10, Issue:1
ISSN: 0960-894X		Antitumour activity of sphingoid base adducts of phenethyl isothiocyanate.
AID499026Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 P394S mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID49952Fungistatic activity of bifunctional sphingolipids against Candida glabrata at a concentration of 6 ug/mL before dilution replating; growth in media2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID357405Resistance index, ratio of IC50 for 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant human Jurkat SBR3 mutant cells to IC50 for human wild type Jurkat cells2007The Journal of biological chemistry, May-25, Volume: 282, Issue:21
ISSN: 0021-9258		Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues.
AID401369Antifouling activity against Ulva conglobata spores assessed as germination and attachment rate at 1 ppm1998Journal of natural products, Jun-26, Volume: 61, Issue:6
ISSN: 0163-3864		New ceramide from marine sponge Haliclona koremella and related compounds as antifouling substances against macroalgae.
AID499016Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 A153T mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID165112Inhibitory activity against protein kinase C of rat brain1994Journal of medicinal chemistry, Jan-07, Volume: 37, Issue:1
ISSN: 0022-2623		New hexahydroxybiphenyl derivatives as inhibitors of protein kinase C.
AID49950Fungistatic activity of bifunctional sphingolipids against Candida glabrata at a concentration of 3 ug/mL before dilution replating; growth in media2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID401374Antimicrobial activity against Skeletonema costatum at 5 ppm1998Journal of natural products, Jun-26, Volume: 61, Issue:6
ISSN: 0163-3864		New ceramide from marine sponge Haliclona koremella and related compounds as antifouling substances against macroalgae.
AID499013Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 A153T D314Y R177H mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID420341Inhibition of SphK12009Bioorganic & medicinal chemistry letters, Jul-01, Volume: 19, Issue:13
ISSN: 1464-3405		Iodophenyl tagged sphingosine derivatives: synthesis and preliminary biological evaluation.
AID357393Inhibition of 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant human Jurkat SBR2 mutant cells proliferation after 18 hrs by MTT assay2007The Journal of biological chemistry, May-25, Volume: 282, Issue:21
ISSN: 0021-9258		Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues.
AID499021Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 V269I mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID498999Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 containing wild type sequence E351S2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID521220Inhibition of neurosphere proliferation of mouse neural precursor cells by MTT assay2007Nature chemical biology, May, Volume: 3, Issue:5
ISSN: 1552-4450		Chemical genetics reveals a complex functional ground state of neural stem cells.
AID499018Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 I183F mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID401372Antimicrobial activity against Branchiomonas submaria at 5 ppm1998Journal of natural products, Jun-26, Volume: 61, Issue:6
ISSN: 0163-3864		New ceramide from marine sponge Haliclona koremella and related compounds as antifouling substances against macroalgae.
AID164615Inhibition of cAMP-dependent kinase PKA(Protein kinase A) catalytic subunit at 100 uM1991Journal of medicinal chemistry, Sep, Volume: 34, Issue:9
ISSN: 0022-2623		Substituted 2-(aminomethyl)piperidines: a novel class of selective protein kinase C inhibitors.
AID357394Inhibition of human 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant human Jurkat SBR3 mutant cells proliferation after 18 hrs by MTT assay2007The Journal of biological chemistry, May-25, Volume: 282, Issue:21
ISSN: 0021-9258		Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues.
AID357391Cell viability of Sphk2-knock out mouse embryonic fibroblasts assessed as resistant cells after 18 hrs by propidium iodide exclusion assay2007The Journal of biological chemistry, May-25, Volume: 282, Issue:21
ISSN: 0021-9258		Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues.
AID305219Effect on rate of phosphorylation of human recombinant SPHK2 expressed in HEK293 cells2007Bioorganic & medicinal chemistry letters, Jan-15, Volume: 17, Issue:2
ISSN: 0960-894X		Constrained azacyclic analogues of the immunomodulatory agent FTY720 as molecular probes for sphingosine 1-phosphate receptors.
AID420342Inhibition of SphK22009Bioorganic & medicinal chemistry letters, Jul-01, Volume: 19, Issue:13
ISSN: 1464-3405		Iodophenyl tagged sphingosine derivatives: synthesis and preliminary biological evaluation.
AID357392Inhibition of 2-amino-4-(4-heptyloxyphenyl)-2-methylbutanol-resistant human Jurkat SBR1 mutant cells proliferation after 18 hrs by MTT assay2007The Journal of biological chemistry, May-25, Volume: 282, Issue:21
ISSN: 0021-9258		Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues.
AID499025Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 D314Y mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID499017Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 R177H mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID357402Inhibition of wild type human Jurkat cells after 18 hrs by MTT assay2007The Journal of biological chemistry, May-25, Volume: 282, Issue:21
ISSN: 0021-9258		Essential requirement for sphingosine kinase 2 in a sphingolipid apoptosis pathway activated by FTY720 analogues.
AID499019Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 I276F mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID623346Cytotoxicity against human SHG44 at 50 uM after 24 hrs by cell counting kit-8 assay2011European journal of medicinal chemistry, Nov, Volume: 46, Issue:11
ISSN: 1768-3254		Diastereoselective synthesis and bioactivity of long-chain anti-2-amino-3-alkanols.
AID499020Ratio of Kcat to Km of Activity of Rhodococcus sp. M777 Endoglycoceramidase 2 T257I T416A mutant2009Nature chemical biology, Jul, Volume: 5, Issue:7
ISSN: 1552-4469		Designer enzymes for glycosphingolipid synthesis by directed evolution.
AID49949Fungistatic activity of bifunctional sphingolipids against Candida glabrata at a concentration of 30 ug/mL before dilution replating; no growth in media2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID390919Antibacterial activity against Candida albicans2008Journal of medicinal chemistry, Oct-09, Volume: 51, Issue:19
ISSN: 1520-4804		Design, synthesis, and antibacterial activities of neomycin-lipid conjugates: polycationic lipids with potent gram-positive activity.
AID49948Fungistatic activity of bifunctional sphingolipids against Candida glabrata at a concentration of 1 ug/mL before dilution replating; growth in media2002Bioorganic & medicinal chemistry letters, Aug-19, Volume: 12, Issue:16
ISSN: 0960-894X		Antifungal activity of bifunctional sphingolipids. Intramolecular synergism within long-chain alpha,omega-bis-aminoalcohols.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
ISSN: 1464-3405		Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID1346644Mouse TRPM7 (ChaK subfamily)2013British journal of pharmacology, Mar, Volume: 168, Issue:6
ISSN: 1476-5381		Sphingosine and FTY720 are potent inhibitors of the transient receptor potential melastatin 7 (TRPM7) channels.
AID1346619Human TRPM3 (Transient Receptor Potential channels)2005Molecular pharmacology, Mar, Volume: 67, Issue:3
ISSN: 0026-895X		Activation of the melastatin-related cation channel TRPM3 by D-erythro-sphingosine [corrected].

Research

Studies (8,164)

TimeframeStudies, This Drug (%)All Drugs %
pre-1990493 (6.04)18.7374
1990's1183 (14.49)18.2507
2000's2682 (32.85)29.6817
2010's3100 (37.97)24.3611
2020's706 (8.65)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials117 (1.41%)5.53%
Reviews1,072 (12.88%)6.00%
Case Studies70 (0.84%)4.05%
Observational20 (0.24%)0.25%
Other7,046 (84.64%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
acetylcarnitine
2
O-acylcarnitinehuman metabolite201720196.0low000020
2-oxo-3-methylvalerate
0
2-oxo monocarboxylic acid;
branched-chain keto acid		human metabolite00low000000
alpha-ketoisovalerate
0
2-oxo monocarboxylic acid;
branched-chain keto acid		human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
2,3-diphosphoglycerate
3
bisphosphoglyceric acid;
tetronic acid derivative		human metabolite201620206.3low000030
2-keto-4-methylvalerate
0
2-oxo monocarboxylic acid;
branched-chain keto acid		algal metabolite;
human metabolite		00low000000
3-hydroxyanthranilic acid
0
aminobenzoic acid;
monohydroxybenzoic acid		human metabolite;
mouse metabolite		00low000000
3-hydroxykynurenine
0
hydroxykynureninehuman metabolite00low000000
3-oxoadipic acid
0
dicarboxylic fatty acid;
oxo dicarboxylic acid		bacterial xenobiotic metabolite;
human metabolite		00low000000
3-mercaptopyruvic acid
0
2-oxo monocarboxylic acid;
thiol		antidote to cyanide poisoning;
Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
phosphoserine
8
non-proteinogenic alpha-amino acid;
O-phosphoamino acid;
serine derivative		human metabolite1999201913.5low002240
3-phenylpropionic acid
0
benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite		00low000000
gamma-aminobutyric acid
5
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		1988201823.2low012110
4-hydroxyphenylacetic acid
0
monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite		00low000000
isocaproaldehyde
0
alpha-CH2-containing aldehydehuman metabolite;
mouse metabolite		00low000000
aminolevulinic acid
1
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		202220222.0low000001
5-aminovaleric acid
0
amino acid zwitterion;
delta-amino acid;
omega-amino fatty acid		human metabolite00low000000
5-hydroxytryptophan
1
hydroxytryptophanhuman metabolite;
neurotransmitter		201720177.0low000010
acetaldehyde
2
aldehydecarcinogenic 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		1999201019.5low001100
acetone
0
ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent		00low000000
acetyl phosphate
0
acyl monophosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
adenine
7
6-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1993201517.3low002140
allantoin
0
imidazolidine-2,4-dione;
ureas		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary		00low000000
anthranilic acid
0
aminobenzoic acidhuman metabolite;
mouse metabolite		00low000000
beta-alanine
17
amino acid zwitterion;
beta-amino acid		agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter		1988201617.8low012950
betaine aldehyde
0
quaternary ammonium ionAspergillus metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite		00low000000
1-butanol
7
alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent		1974200927.4low012400
ureidosuccinic acid
0
aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
carbon monoxide
2
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		1987200030.5low011000
carnitine
10
amino-acid betainehuman metabolite;
mouse metabolite		1995202310.5low001342
choline
34
cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite		1958202234.2low01512232
chlorine
12
halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite		1992202216.9low004431
coumarin
0
coumarinsfluorescent dye;
human metabolite;
plant metabolite		00low000000
aminoethylphosphonic acid
3
phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite		1973197649.0low030000
octanoic acid
0
medium-chain fatty acid;
straight-chain saturated fatty acid		antibacterial agent;
Escherichia coli metabolite;
human metabolite		00low000000
dihydrolipoic acid
0
thio-fatty acidantioxidant;
human metabolite;
neuroprotective agent		00low000000
trimethylenediamine
0
alkane-alpha,omega-diaminehuman metabolite;
mouse metabolite;
reagent		00low000000
3-hydroxybutyric acid
0
(omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid		human metabolite00low000000
methylmalonic acid
0
C4-dicarboxylic acidhuman metabolite00low000000
pyrrolidonecarboxylic acid
0
oxoproline;
pyrrolidin-2-ones;
pyrrolidinemonocarboxylic acid		human metabolite00low000000
3,4-dihydroxyphenylacetic acid
3
catechols;
dihydroxyphenylacetic acid		human metabolite1993199530.0low003000
alpha-keto-delta-guanidinovaleric acid
0
2-oxo monocarboxylic acid;
zwitterion		human metabolite;
mouse metabolite		00low000000
creatine
1
glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical		202120213.0low000001
cytosine
1
aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2005200519.0low000100
dihydrouracil
0
pyrimidoneEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		00low000000
dihydrolipoamide
0
dithiol;
monocarboxylic acid amide		cofactor;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
dihydroxyacetone phosphate
0
glycerone phosphates;
primary alpha-hydroxy ketone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
dihydroxyacetone
1
ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2005200519.0low000100
dimethylglycine
0
amino acid zwitterion;
N-methyl-amino acid;
N-methylglycines		Daphnia magna metabolite;
human metabolite;
mouse metabolite		00low000000
5,6-dimethylbenzimidazole
0
dimethylbenzimidazoleEscherichia coli metabolite;
human metabolite		00low000000
ethanolamine
10
ethanolamines;
primary alcohol;
primary amine		Escherichia coli metabolite;
human metabolite;
mouse metabolite		1954201726.7low015220
gamma-butyrobetaine
0
amino-acid betaineEscherichia coli metabolite;
human metabolite		00low000000
glutaric acid
0
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		Daphnia magna metabolite;
human metabolite		00low000000
glycerol
16
alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent		1971201535.1low075310
alpha-glycerophosphoric acid
0
glycerol monophosphatealgal metabolite;
human metabolite		00low000000
glycolaldehyde
0
glycolaldehydesfundamental metabolite;
human metabolite		00low000000
glyoxylic acid
0
2-oxo monocarboxylic acid;
aldehydic acid		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
glycocyamine
0
guanidinoacetic acids;
zwitterion		bacterial metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite		00low000000
hydrogen cyanide
0
hydracid;
one-carbon compound		Escherichia coli metabolite;
human metabolite;
poison		00low000000
hydrogen carbonate
1
carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201620168.0low000010
histamine
18
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		1996201517.8low0041040
homogentisic acid
0
dihydroxyphenylacetic acid;
hydroquinones		human metabolite;
plant metabolite		00low000000
hydrogen
3
elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite		1993199729.7low003000
indole-3-acetaldehyde
0
indoleacetaldehydebacterial metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
indoleacetic acid
0
indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite		00low000000
itaconic acid
0
dicarboxylic acid;
dicarboxylic fatty acid;
olefinic compound		fungal metabolite;
human metabolite		00low000000
potassium
0
alkali metal cation;
elemental potassium;
monoatomic monocation;
monovalent inorganic cation		cofactor;
human metabolite		00low000000
dihydroxyphenylalanine
3
hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite1992201723.3low002010
kynurenine
2
aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite201820224.0low000011
lipoamide
0
dithiolanes;
monocarboxylic acid amide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
malonic acid
0
alpha,omega-dicarboxylic acidhuman metabolite00low000000
methylmercaptan
0
alkanethiolhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
pyruvaldehyde
1
2-oxo aldehyde;
propanals		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1994199430.0low001000
methanol
20
alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite		1973202217.4low041294
melatonin
5
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		201620225.8low000041
n-acetylserotonin
0
acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist		00low000000
n-methylphenylethanolamine
0
alkaloid;
phenylethanolamines		human metabolite;
plant metabolite		00low000000
n'-acetylspermine
0
acetamides;
acetylspermine		human metabolite00low000000
nitrites
0
monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite00low000000
hydroxypyruvic acid
0
2-oxo monocarboxylic acid;
3-hydroxy monocarboxylic acid;
primary alpha-hydroxy ketone		Escherichia coli metabolite;
human metabolite		00low000000
oxalic acid
1
alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite		1994199430.0low001000
4-hydroxyphenylpyruvic acid
0
2-oxo monocarboxylic acid;
phenols		human metabolite00low000000
hexadecanal
0
2,3-saturated fatty aldehyde;
long-chain fatty aldehyde		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
phenylacetaldehyde
0
alpha-CH2-containing aldehyde;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
phenylacetic acid
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		00low000000
2-hydroxyphenethylamine
0
phenylethanolamineshuman metabolite00low000000
phenethylamine
0
alkaloid;
aralkylamine;
phenylethylamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
phosphoric acid
0
phosphoric acidsalgal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent		00low000000
phosphorylcholine
278
phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite		1958202219.5low2787122557
phosphorylethanolamine
0
phosphoethanolamine;
primary amino compound		algal metabolite;
human metabolite;
mouse metabolite		00low000000
picolinic acid
0
pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material		00low000000
pyridoxal
0
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
pyridoxal phosphate
3
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		1984201723.7low011010
pyridoxamine
0
aminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6		Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
pyridoxamine phosphate
0
aminoalkylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 phosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
pyridoxine
3
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1973201626.0low010110
quinolinic acid
0
pyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist		00low000000
thiosulfates
1
divalent inorganic anion;
sulfur oxide;
sulfur oxoanion		human metabolite1972197252.0low010000
sarcosine
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		00low000000
taurine
2
amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite		2009200915.0low000200
thiamine
0
primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
thymine
0
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
2-(4-methyl-1,3-thiazol-5-yl)ethanol
0
1,3-thiazoles;
primary alcohol		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
tryptamine
0
aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines		human metabolite;
mouse metabolite;
plant metabolite		00low000000
uracil
1
pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		201620168.0low000010
uric acid
4
uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite		1997202113.5low001111
urea
5
isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1972201126.0low010310
vanilmandelic acid
0
2-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite00low000000
perillic acid
0
alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid		antineoplastic agent;
human metabolite;
mouse metabolite		00low000000
meglutol
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		00low000000
homovanillic acid
1
guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite		1994199430.0low001000
3-hydroxy-4-methoxyphenethylamine
0
monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		human metabolite;
rat metabolite		00low000000
hydroxyindoleacetic acid
0
indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite		00low000000
5-methoxytryptamine
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		00low000000
cetyl alcohol
0
hexadecanol;
long-chain primary fatty alcohol		algal metabolite;
flavouring agent;
human metabolite;
plant metabolite		00low000000
4-cresol
0
cresolEscherichia coli metabolite;
human metabolite;
uremic toxin		00low000000
debrisoquin
0
carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent		00low000000
decanoic acid
0
medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component		00low000000
nordazepam
0
1,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative		00low000000
2,5-dihydroxybenzoic acid
0
dihydroxybenzoic acidEC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite		00low000000
tele-methylhistamine
0
imidazoles;
primary amino compound		human metabolite;
mouse metabolite		00low000000
indolepropionic acid
0
indol-3-yl carboxylic acidauxin;
human metabolite;
plant metabolite		00low000000
kynurenic acid
0
monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite		00low000000
3-phenyllactic acid
0
2-hydroxy monocarboxylic acidhuman metabolite00low000000
2-amino-3-phosphonopropionic acid
0
alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist		00low000000
2-phenylglycine
0
non-proteinogenic alpha-amino acidhuman metabolite00low000000
nifedipine
8
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		1995201819.6low003320
oxidopamine
0
benzenetriol;
catecholamine;
primary amino compound		drug metabolite;
human metabolite;
neurotoxin		00low000000
sebacic acid
0
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite;
plant metabolite		00low000000
stearic acid
0
long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite		00low000000
succinylacetone
0
beta-diketone;
dioxo monocarboxylic acid		human metabolite00low000000
tolbutamide
0
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		00low000000
retinoic acid
0
alpha,beta-unsaturated monocarboxylic acid;
retinoid		human metabolite00low000000
tyramine
0
monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter		00low000000
corticosterone
2
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		1991201123.0low001010
estriol
0
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite		00low000000
sorbitol
1
glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent		1996199628.0low001000
thymidine
19
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		1972200629.1low039700
hydroxyproline
2
4-hydroxyproline;
L-alpha-amino acid zwitterion		human metabolite;
mouse metabolite;
plant metabolite		2004200519.5low000200
thyroxine
5
2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone		1972200031.6low014000
aldosterone
4
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		1991201619.0low001210
cysteine
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		00low000000
estrone
1
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		1974197450.0low010000
androsterone
0
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone		00low000000
etiocholanolone
0
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid		human metabolite;
mouse metabolite		00low000000
dehydroepiandrosterone
2
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite		1974201231.0low010010
triiodothyronine
7
2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone		1972201520.7low012040
isonicotinic acid
0
pyridinemonocarboxylic acidalgal metabolite;
human metabolite		00low000000
serine
92
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		1955202224.7low1192527183
glutamine
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		1977202125.0low010001
lysine
4
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		2000201515.5low001210
sucrose
5
glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent		2005202113.6low000401
adenosine diphosphate
15
adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite		1987201724.1low017610
uridine
1
uridinesdrug metabolite;
fundamental metabolite;
human metabolite		1975197549.0low010000
uridine monophosphate
0
pyrimidine ribonucleoside 5'-monophosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
levodopa
6
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		1993200424.7low002400
cysteamine
1
amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent		2005200519.0low000100
leucine
9
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		1975201226.6low024210
androstenedione
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		2002200222.0low000100
cytidine monophosphate
0
cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-monophosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
methionine
8
aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical		1989201721.2low012320
desoxycorticosterone
2
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2008200915.5low000200
cytidine
1
cytidinesEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1973197351.0low010000
17-alpha-hydroxyprogesterone
0
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		00low000000
asparagine
4
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		1977200528.2low011200
histidine
5
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		2000200920.0low001400
n-pentanol
0
pentanol;
short-chain primary fatty alcohol		human metabolite;
plant metabolite		00low000000
valine
3
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		201020228.0low000111
threonine
6
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		1995201719.5low001410
tryptophan
8
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		1972202214.6low011132
isoleucine
2
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		2010201511.5low000110
ethylamine
0
primary aliphatic aminehuman metabolite00low000000
taurocholic acid
4
amino sulfonic acid;
bile acid taurine conjugate		human metabolite1973201240.5low030010
skatole
0
methylindolehuman metabolite;
mammalian metabolite		00low000000
quinaldic acid
0
quinolinemonocarboxylic acidhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
3-methylpentane
0
alkane;
volatile organic compound		allelochemical;
human metabolite;
non-polar solvent		00low000000
methylcyclopentane
0
cycloalkane;
volatile organic compound		human metabolite;
plant metabolite		00low000000
phosphoribosyl pyrophosphate
0
5-O-phosphono-D-ribofuranosyl diphosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite		00low000000
1-phenethylamine
0
phenylethylaminehuman metabolite00low000000
trehalose
1
trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2002200222.0low000100
isethionic acid
0
alkanesulfonic acidhuman metabolite00low000000
methylcyclohexane
0
cycloalkane;
volatile organic compound		aprotic solvent;
human metabolite;
plant metabolite		00low000000
piperidine
0
azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine		base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent		00low000000
undecanoic acid
0
medium-chain fatty acid;
straight-chain saturated fatty acid		antifungal agent;
human metabolite		00low000000
1-tridecanol
0
long-chain primary fatty alcohol;
tridecanol		bacterial metabolite;
human metabolite;
plant metabolite		00low000000
stearyl alcohol
0
long-chain primary fatty alcohol;
octadecanol		algal metabolite;
human metabolite;
plant metabolite		00low000000
acetol
0
methyl ketone;
primary alcohol;
primary alpha-hydroxy ketone;
propanones		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
2-methylbutanoic acid
0
methylbutyric acidbacterial metabolite;
human metabolite		00low000000
hexanoic acid
0
medium-chain fatty acid;
straight-chain saturated fatty acid		human metabolite;
plant metabolite		00low000000
isopropyl palmitate
0
fatty acid ester;
isopropyl ester		human metabolite00low000000
pregnenolone
2
20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid		human metabolite;
mouse metabolite		2010201113.5low000110
20-alpha-dihydroprogesterone
0
20-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite		00low000000
homoarginine
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		00low000000
dibenzo(a,l)pyrene
0
ortho- and peri-fused polycyclic arenehuman metabolite;
mutagen		00low000000
diiodotyrosine
0
diiodotyrosine;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite		00low000000
3-methoxytyrosine
0
aromatic L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monomethoxybenzene;
non-proteinogenic L-alpha-amino acid		human metabolite00low000000
thiocyanate
0
pseudohalide anion;
sulfur molecular entity		human metabolite00low000000
4-hydroxyphenyllactic acid
0
2-hydroxy carboxylic acid;
phenols		bacterial metabolite;
human metabolite		00low000000
citrulline
1
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		2001200123.0low000100
lithocholic acid
2
bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite		1994202216.0low001001
nandrolone
0
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid		human metabolite00low000000
4-methylcatechol
0
methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite		00low000000
homocystine
0
amino acid zwitterion;
homocystines		human metabolite00low000000
chenodeoxycholic acid
1
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite		1994199430.0low001000
glycocholic acid
2
bile acid glycine conjugatehuman metabolite2012201610.0low000020
epitestosterone
0
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen antagonist;
human metabolite		00low000000
ninhydrin
0
aromatic ketone;
beta-diketone;
indanones;
ketone hydrate		colour indicator;
human metabolite		00low000000
indican
0
aryl sulfate;
indoles		human metabolite00low000000
suberic acid
0
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite00low000000
hexadecanedioic acid
0
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite00low000000
androstenediol
0
17beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid		androgen;
human metabolite;
mouse metabolite;
radiation protective agent		00low000000
dihydrotestosterone
2
17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		1994201121.5low001010
pyridoxamine dihydrochloride
0
hydrochloride;
vitamin B6		Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
aceturic acid
0
N-acetyl-amino acid;
N-acylglycine		human metabolite00low000000
myristic acid
8
long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite		1990201720.9low003230
glycylglycine
0
dipeptide zwitterion;
dipeptide		human metabolite00low000000
lignoceric acid
0
straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component		00low000000
18-hydroxycorticosterone
0
11beta-hydroxy steroid;
18-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo steroid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		00low000000
2-hydroxybutyric acid
0
2-hydroxy monocarboxylic acid;
hydroxybutyric acid		algal metabolite;
human metabolite		00low000000
3-methylhexane
0
alkane;
volatile organic compound		human metabolite00low000000
ethylmalonic acid
0
dicarboxylic acid;
dicarboxylic fatty acid		human metabolite00low000000
galactitol
0
hexitolEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		00low000000
2-hydroxyphenylacetic acid
0
hydroxy monocarboxylic acid;
phenols		human metabolite;
mouse metabolite		00low000000
acetylcysteine
10
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		1999201517.2low002530
5-methyl-2-furfural
0
aldehyde;
furans		EC 2.2.1.6 (acetolactate synthase) inhibitor;
flavouring agent;
human metabolite;
Maillard reaction product		00low000000
2-hexanol
0
hexanol;
secondary alcohol		human metabolite;
plant metabolite;
semiochemical		00low000000
1,1,3,3-tetramethylurea
0
ureashuman metabolite00low000000
glycochenodeoxycholic acid
1
bile acid glycine conjugatehuman metabolite2013201311.0low000010
isocaproic acid
0
branched-chain saturated fatty acid;
medium-chain fatty acid;
methyl-branched fatty acid		human metabolite00low000000
dehydroepiandrosterone sulfate
0
17-oxo steroid;
steroid sulfate		EC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite;
mouse metabolite		00low000000
homoserine
2
amino acid zwitterion;
homoserine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite		2009201711.0low000110
dodecanedioic acid
0
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
human metabolite		00low000000
deoxycytidine
1
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2009200915.0low000100
deoxyuridine
1
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2011201113.0low000010
2'-deoxyadenosine
0
purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
cytidine diphosphate choline
3
nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite		1976198543.7low030000
1-pentene-3-one
0
enoneflavouring agent;
genotoxin;
human metabolite;
plant metabolite		00low000000
5 alpha-androstane-3 alpha,17 beta-diol
0
androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite		00low000000
9,10-epoxystearic acid
0
epoxystearic acidhuman metabolite00low000000
5-hydroxyindole
0
hydroxyindoleshuman metabolite00low000000
beta-hydroxymyristic acid
0
3-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
long-chain fatty acid		bacterial metabolite;
human metabolite		00low000000
perillaldehyde
0
aldehyde;
olefinic compound		human metabolite;
mouse metabolite;
volatile oil component		00low000000
tricosanoic acid
0
straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia magna metabolite;
human metabolite;
plant metabolite		00low000000
uridine diphosphate glucuronic acid
0
UDP-D-glucuronic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
tetrahydropapaveroline
0
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol		human metabolite00low000000
dithiothreitol
1
1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent		1999199925.0low001000
cyclic cmp
0
3',5'-cyclic pyrimidine nucleotidehuman metabolite00low000000
furoylglycine
0
furans;
N-acylglycine		human metabolite00low000000
3,3',5'-triiodothyronine
0
iodothyroninehuman metabolite00low000000
limonene
0
cycloalkene;
p-menthadiene		human metabolite00low000000
hypochlorous acid
0
chlorine oxoacid;
reactive oxygen species		EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite		00low000000
urobilinogen
0
bilaneshuman metabolite00low000000
estetrol
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		00low000000
iron
0
divalent metal cation;
iron cation;
monoatomic dication		cofactor;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
1-methyladenosine
0
methyladenosinehuman metabolite00low000000
iodine
4
halide anion;
monoatomic iodine		human metabolite1972201520.8low010030
nonanal
0
medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		human metabolite;
plant metabolite		00low000000
dimethylacetamide
0
acetamides;
monocarboxylic acid amide		human metabolite00low000000
ursodeoxycholic acid
1
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite		1997199727.0low001000
pregnanolone
0
3-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid		human metabolite;
intravenous anaesthetic;
sedative		00low000000
s-adenosylmethionine
0
sulfonium betainehuman metabolite00low000000
acetylgalactosamine
1
N-acetyl-D-hexosamine;
N-acetylgalactosamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite		1995199529.0low001000
paclitaxel
7
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		1999201515.1low001330
norsalsolinol
0
isoquinolinolanimal metabolite;
apoptosis inducer;
human metabolite;
marine metabolite		00low000000
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
0
isoquinolinol;
tertiary amino compound		human metabolite;
neurotoxin;
rat metabolite		00low000000
adenosine
16
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		1991202020.1low007720
d-lactic acid
0
2-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite		00low000000
xanthosine
0
purines D-ribonucleoside;
xanthosines		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
1,5-anhydroglucitol
0
anhydro sugarhuman metabolite00low000000
3-methylhistidine
0
L-histidine derivative;
non-proteinogenic L-alpha-amino acid;
zwitterion		human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
5-methylcytosine
0
methylcytosine;
pyrimidines		human metabolite00low000000
n-acetylaspartic acid
0
N-acetyl-L-amino acid;
N-acyl-L-aspartic acid		antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite		00low000000
deoxyuridine triphosphate
0
deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate		Arabidopsis thaliana metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
homocitrulline
0
amino acid zwitterion;
L-lysine derivative;
non-proteinogenic L-alpha-amino acid;
ureas		human metabolite;
mouse metabolite		00low000000
cholesteryl sulfate
0
steroid sulfatehuman metabolite00low000000
2'-deoxycytidine 5'-triphosphate
0
2'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
25-hydroxycholesterol
0
25-hydroxy steroid;
oxysterol		human metabolite00low000000
aica ribonucleotide
0
1-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole		cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
n-acetylserine
0
acetyl-L-serine;
N-acetyl-L-amino acid		human metabolite00low000000
o-4-methylthymine
0
aromatic ether;
methylthymine		human metabolite00low000000
tetraiodothyroacetic acid
0
2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone		00low000000
lathosterol
0
3beta-sterol;
C27-steroid;
cholestanoid;
Delta(7)-sterol		human metabolite;
mouse metabolite		00low000000
omega-aminocaprylic acid
0
medium-chain fatty acid;
omega-amino fatty acid		human metabolite00low000000
2-methoxyestradiol
0
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		00low000000
parabanic acid
0
hydracid;
imidazolidinone		human metabolite00low000000
n-acetyl-l-arginine
0
N-acetyl-L-amino acidhuman metabolite00low000000
cystine
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		00low000000
6-methyladenine
0
6-alkylaminopurine;
methyladenine		human metabolite00low000000
phenylacetylglycine
0
monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine		human metabolite;
mouse metabolite		00low000000
hydracrylic acid
0
3-hydroxy monocarboxylic acid;
omega-hydroxy-short-chain fatty acid		Escherichia coli metabolite;
human metabolite		00low000000
hordenine
0
phenethylamine alkaloidhuman metabolite;
mouse metabolite		00low000000
4-methoxyestradiol
0
17beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols		estrogen;
human metabolite;
rat metabolite		00low000000
glutaurine
0
dipeptide zwitterion;
dipeptide;
L-glutamine derivative;
sulfonic acid		anticonvulsant;
anxiolytic drug;
hormone;
human metabolite;
mammalian metabolite;
mouse metabolite		00low000000
plasmenylserine
0
O-phosphoserineEC 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		00low000000
ubiquinone-o
0
ubiquinonesEscherichia coli metabolite;
human metabolite		00low000000
beta-hydroxyisovaleric acid
0
3-hydroxy monocarboxylic acidhuman metabolite00low000000
n-acetylhistamine
0
acetamides;
imidazoles		human metabolite00low000000
indole-3-carboxylic acid
0
indol-3-yl carboxylic acidbacterial metabolite;
human metabolite		00low000000
5-hydroxymethylcytosine
0
aminopyrimidine;
aromatic primary alcohol;
nucleobase analogue;
pyrimidone		human metabolite;
mouse metabolite		00low000000
n-acetylglutamic acid
0
N-acetyl-L-amino acid;
N-acyl-L-glutamic acid		human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
2,5-dihydroxybenzaldehyde
0
dihydroxybenzaldehydehuman metabolite;
mouse metabolite;
Penicillium metabolite		00low000000
D-serine
0
D-alpha-amino acid;
serine zwitterion;
serine		Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist		00low000000
D-alanine
0
alanine zwitterion;
alanine;
D-alpha-amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite		00low000000
2-ketopentanoic acid
0
2-oxo monocarboxylic acid;
oxopentanoic acid		human metabolite00low000000
hydroxyindoleacetaldehyde
0
hydroxyindoles;
indoleacetaldehyde		human metabolite;
mouse metabolite		00low000000
leucylleucine
0
dipeptide;
L-aminoacyl-L-amino acid zwitterion		human metabolite;
Mycoplasma genitalium metabolite		00low000000
5-hydroxymethyluracil
0
primary alcohol;
pyrimidone		human metabolite00low000000
12-hydroxydodecanoic acid
0
omega-hydroxy-medium-chain fatty acidhuman metabolite00low000000
decane-1,2-diol
0
glycol;
volatile organic compound		anti-inflammatory agent;
antioxidant;
human metabolite		00low000000
4-nitrophenyl sulfate
0
aryl sulfate;
C-nitro compound		human metabolite00low000000
glucose-1,6-bisphosphate
0
D-glucose 1,6-bisphosphateEscherichia coli metabolite;
human metabolite		00low000000
biotinamide
0
biotins;
monocarboxylic acid amide		human metabolite00low000000
3,4-dihydroxymandelic acid
0
2-hydroxy monocarboxylic acid;
catechols		antioxidant;
drug metabolite;
human metabolite;
mouse metabolite		00low000000
3-hydroxymandelic acid
0
2-hydroxy monocarboxylic acid;
phenols		human metabolite00low000000
n-acetylalanine
0
L-alanine derivative;
N-acetyl-L-amino acid		human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
17-alpha-hydroxypregnenolone
1
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
hydroxypregnenolone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201720177.0low000010
cholest-4-en-3-one
0
3-oxo-Delta(4) steroid;
cholestanoid		human metabolite;
plant metabolite		00low000000
mephentermine
0
2-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite		00low000000
2-pinene oxide
0
epoxide;
pinane monoterpenoid		bacterial xenobiotic metabolite;
fragrance;
human metabolite		00low000000
1-methylhistidine
0
L-histidine derivative;
non-proteinogenic L-alpha-amino acid;
zwitterion		human metabolite00low000000
3-hydroxybutyric acid
0
3-hydroxybutyric acid;
ketone body		fungal metabolite;
human metabolite;
pheromone		00low000000
L-2-aminoadipic acid
0
2-aminoadipic acidEscherichia coli metabolite;
human metabolite		00low000000
testosterone acetate
0
3-oxo-Delta(4) steroid;
androstanoid;
sterol ester		human metabolite00low000000
phenylacetylglutamine
0
N(2)-phenylacetylglutaminehuman metabolite00low000000
5beta-pregnane-3,20-dione
0
20-oxo steroid;
3-oxo-5beta-steroid;
C21-steroid		human metabolite;
mouse metabolite		00low000000
zymosterol
0
3beta-sterol;
cholestanoid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
brexanolone
0
3-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative		00low000000
5-alpha-dihydroprogesterone
0
20-oxo steroid;
3-oxo-5alpha-steroid;
C21-steroid hormone		human metabolite;
progestogen		00low000000
n-epsilon-acetyllysine
0
acetyl-L-lysine;
amino acid zwitterion;
N(6)-acyl-L-lysine		human metabolite00low000000
2-hydroxyhexadecanoic acid
0
2-hydroxy fatty acid;
hydroxypalmitic acid		human metabolite00low000000
19-oxo-delta(4) androstene-3,17-dione
0
17-oxo steroid;
19-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid;
steroid aldehyde		human metabolite00low000000
gamma-glutamylglutamate
0
dipeptidehuman metabolite00low000000
indole-3-lactic acid
0
hydroxy monocarboxylic acid;
indol-3-yl carboxylic acid		human metabolite00low000000
n(alpha)-acetyllysine
0
acetyl-L-lysine;
amino acid zwitterion		human metabolite00low000000
glycyl-l-phenylalanine
0
dipeptide zwitterion;
dipeptide		human metabolite;
metabolite		00low000000
5,6-dihydrothymine
0
pyrimidonehuman metabolite;
metabolite;
mouse metabolite		00low000000
gamma-glutamyltyrosine
0
dicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide		human metabolite00low000000
cholest-5-ene-3 beta,26-diol
0
26-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
oxysterol		EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite		00low000000
2-hydroxyisovaleric acid
0
2-hydroxy monocarboxylic acidhuman metabolite00low000000
aminomalonic acid
0
amino dicarboxylic acidDaphnia magna metabolite;
human metabolite		00low000000
zymostenol
0
3beta-sterol;
cholestanoid		human metabolite;
mouse metabolite		00low000000
16-hydroxydehydroepiandrosterone
0
16alpha-hydroxy steroid;
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid;
secondary alpha-hydroxy ketone		human metabolite;
mouse metabolite		00low000000
cortisol 21-sulfate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
cortisol ester;
steroid sulfate;
tertiary alpha-hydroxy ketone		human metabolite00low000000
1,2-distearoylphosphatidylethanolamine
0
phosphatidylethanolamine zwitterion;
phosphatidylethanolamine		human metabolite00low000000
hydrogen sulfite
0
sulfur oxoanionhuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
aflatoxin b1-2,3-oxide
0
aflatoxinhuman metabolite00low000000
fructose 2,6-diphosphate
0
D-fructofuranose 2,6-bisphosphatehuman metabolite;
mouse metabolite		00low000000
pregnenolone sulfate
0
steroid sulfateEC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite		00low000000
3,3'-diiodothyronine
0
3,3'-diiodothyronine;
amino acid zwitterion		human metabolite00low000000
l-lactic acid
0
(2S)-2-hydroxy monocarboxylic acid;
2-hydroxypropanoic acid		Escherichia coli metabolite;
human metabolite		00low000000
propionylcarnitine
0
O-acylcarnitineanalgesic;
antirheumatic drug;
cardiotonic drug;
human metabolite;
peripheral nervous system drug		00low000000
hypotaurine
0
aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite		00low000000
testosterone 17-glucosiduronate
0
3-oxo steroid;
beta-D-glucosiduronic acid;
enone;
steroid glucosiduronic acid		human metabolite00low000000
3-chloro-L-tyrosine
0
chloroamino acid;
L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monochlorobenzenes;
non-proteinogenic L-alpha-amino acid		biomarker;
human metabolite		00low000000
androsterone glucuronide
0
beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
metabolite;
mouse metabolite		00low000000
selenomethylselenocysteine
0
non-proteinogenic alpha-amino acid;
selenocysteines		antineoplastic agent;
human metabolite		00low000000
1,5(10)-estradiene-3,4,17-trione
0
17-oxo steroid;
3-oxo-Delta(1) steroid;
orthoquinones		human metabolite00low000000
s-sulphocysteine
0
organic thiosulfate;
S-substituted L-cysteine		human metabolite;
plant metabolite		00low000000
estrone-3-glucuronide
0
17-oxo steroid;
beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
mouse metabolite		00low000000
3,4-dihydroxyphenylacetaldehyde
0
alpha-CH2-containing aldehyde;
catechols;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
caprylates
3
fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite		2004201413.7low000120
1-hydroxyethyl radical
0
organic anionhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
(20s)-20-hydroxycholesterol
0
20-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
oxysterol		human metabolite;
mouse metabolite		00low000000
deoxyhypusine
0
L-lysine derivative;
non-proteinogenic L-alpha-amino acid		human metabolite00low000000
3,7,12-trihydroxycoprostanic acid
0
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
cholestanoic acid;
hydroxy monocarboxylic acid		human metabolite00low000000
triiodothyronine sulfate
0
aryl sulfate;
O-sulfoamino acid		human metabolite00low000000
3,7,12-trihydroxycholestan-26-oic acid
0
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
hydroxy monocarboxylic acid;
steroid acid		human metabolite00low000000
erythrose 4-phosphate
0
erythrose phosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
n(8)-acetylspermidine
0
acetylspermidineEscherichia coli metabolite;
human metabolite		00low000000
7 alpha-hydroxy-4-cholesten-3-one
0
3-oxo-Delta(4) steroid;
7alpha-hydroxy steroid;
cholestanoid		human metabolite;
mouse metabolite		00low000000
pristanic acid
0
branched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid		human metabolite00low000000
gamma-glutamylcysteine
0
gamma-glutamylcysteineEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
27-hydroxycholesterol
0
26-hydroxycholesterolapoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent		00low000000
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid
0
dicarboxylic acid;
furoic acid		human metabolite;
uremic toxin		00low000000
dehydroalanine
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		00low000000
hypothiocyanite ion
0
one-carbon compound;
sulfur oxoacid		antibacterial agent;
antifungal agent;
antiviral agent;
human metabolite;
oxidising agent;
rat metabolite		00low000000
3-c-methylerythritol
0
tetritolhuman metabolite00low000000
succinylacetoacetate
0
alpha,omega-dicarboxylic acid;
beta-diketone		human metabolite00low000000
isoursodeoxycholic acid
0
dihydroxy-5beta-cholanic acidhuman metabolite00low000000
mannitol-1-phosphate
0
alditol 1-phosphate;
hexitol phosphate		Escherichia coli metabolite;
human metabolite		00low000000
triiodothyronine
0
tetrahydrothiophenes;
thiolactone		human metabolite00low000000
kinetensin
0
oligopeptidehistamine releasing agent;
human metabolite		00low000000
estra-1(10),4-diene-2,3,17-trione
0
17-oxo steroid;
3-oxo-Delta(4) steroid;
orthoquinones		human metabolite00low000000
2'-deoxycytidine diphosphate
0
2'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-diphosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite		00low000000
n-methylserotonin
0
phenols;
tryptamines		human metabolite;
plant metabolite		00low000000
gamma-glutamylglutamine
0
dipeptidehuman metabolite00low000000
3,4-dihydroxybutanoic acid
0
3-hydroxy fatty acid;
omega-hydroxy-short-chain fatty acid		human metabolite00low000000
n-palmitoylglycine
0
fatty amide;
N-acylglycine 16:0		human metabolite;
marine metabolite		00low000000
gamma-glutamyl-leucine
0
glutamyl-L-amino acidhuman metabolite00low000000
ribulose
0
ribuloseEscherichia coli metabolite;
human metabolite		00low000000
3,4-dihydroxyphenylglycolaldehyde
0
catechols;
hydroxyaldehyde		human metabolite;
mouse metabolite;
neurotoxin		00low000000
androsterone sulfate
0
17-oxo steroid;
androstanoid;
steroid sulfate		human metabolite;
mouse metabolite		00low000000
3,7,12-trihydroxycoprostane
0
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid		human metabolite;
mouse metabolite		00low000000
saccharopine
0
amino acid opine;
L-lysine derivative		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
allysine
0
allysine;
amino acid zwitterion;
aminoadipate semialdehyde;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
orotidylic acid
0
pyrimidine ribonucleoside 5'-monophosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
allocholic acid
0
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
allo-bile acid;
C24-steroid		human metabolite;
marine metabolite;
rat metabolite		00low000000
beta-ureidoisobutyric acid
0
ureidocarboxylic acidhuman metabolite;
mouse metabolite		00low000000
kynurenine
0
amino acid zwitterion;
kynurenine;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
nicotinate ribonucleoside
0
ammonium betainehuman metabolite00low000000
n(6)-(n-threonylcarbonyl)adenosine
0
L-threonine derivative;
N-(adenosin-N(6)-ylcarbonyl)threonine		Escherichia coli metabolite;
human metabolite		00low000000
sedoheptulose 7-phosphate
0
ketoheptose phosphate;
sedoheptulose derivative		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
histidinol
0
amino alcohol;
imidazoles		EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
thiocysteine
0
amino acid zwitterion;
S-substituted L-cysteine		human metabolite;
mouse metabolite		00low000000
nicotinic acid adenine dinucleotide
0
nicotinic acid dinucleotideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
4,4-dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol
0
3beta-sterolhuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
bradykinin, des-phe(8)-des-arg(9)-
0
oligopeptidehuman metabolite;
rat metabolite		00low000000
isobutyryl-1-carnitine
0
methyl-branched fatty acyl-L-carnitine;
O-isobutyrylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite00low000000
threitol
0
threitolhuman metabolite00low000000
biotin
4
biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite		2004201515.5low000310
angiotensin ii
25
amino acid zwitterion;
angiotensin II		human metabolite1991202116.3low00410101
aceglutamide
0
N-acetyl-L-amino acid;
N(2)-acetylglutamine;
N(2)-acyl-L-glutamine		human metabolite00low000000
aflatoxin b1
2
aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite		2001200720.0low000200
isospaglumic acid
0
dipeptidehuman metabolite00low000000
2'-deoxyadenosine triphosphate
0
2'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-diphosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
2-ethylhydracrylic acid
0
branched-chain saturated fatty acid;
hydroxy fatty acid;
short-chain fatty acid		human metabolite00low000000
2-methyl-3-oxovaleric acid
0
3-oxo monocarboxylic acidhuman metabolite00low000000
monoacetylcadaverine
0
acetamides;
N-substituted cadaverine;
primary amino compound;
secondary carboxamide		human metabolite00low000000
beta-citrylglutamic acid
0
N-acyl-L-glutamic acid;
tetracarboxylic acid		human metabolite;
iron chelator		00low000000
maltotriose
0
maltotriose trisaccharidehuman metabolite00low000000
cholestane-3,7,12,26-tetrol
0
12alpha-hydroxy steroid;
26-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid		human metabolite;
mouse metabolite		00low000000
beta-leucine
0
beta-amino acidhuman metabolite00low000000
2-methylbutyrylglycine
0
N-acylglycinehuman metabolite00low000000
neurotensin (1-8)
0
peptide zwitterion;
peptide		human metabolite00low000000
cholic acid
0
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite		00low000000
erythritol
0
butane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite		00low000000
cortisone
1
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		1952195272.0low010000
5 alpha-androstane-3 beta,17 beta-diol
0
17beta-hydroxy steroid;
3beta-hydroxy steroid;
androstane-3,17-diol		Daphnia magna metabolite;
human metabolite		00low000000
cholesteryl palmitate
0
cholesteryl esterhuman metabolite;
mouse metabolite		00low000000
lanosterol
0
14alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid		bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
2-hydroxyestradiol
0
17beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug		00low000000
5-hydroxyisourate
0
oxopurinehuman metabolite;
mouse metabolite		00low000000
5-formyluracil
0
aldehyde;
nucleobase analogue;
pyrimidone		human metabolite;
mutagen		00low000000
taurochenodeoxycholic acid
0
bile acid taurine conjugatehuman metabolite;
mouse metabolite		00low000000
5'-methylthioadenosine
0
thioadenosinealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
5'-deoxyadenosine
0
5'-deoxyribonucleoside;
adenosines		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
isomaltose
0
glycosylglucosehuman metabolite;
metabolite;
mouse metabolite		00low000000
n-acetylneuraminic acid
8
N-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite		1986202124.8low023111
glucosamine 6-phosphate
0
2-amino-2-deoxy-D-glucopyranose 6-phosphatehuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
carnosine
0
amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent		00low000000
5-hydroxytryptophan
0
5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
plant metabolite		00low000000
dopaquinone
0
1,2-benzoquinones;
amino acid zwitterion;
L-phenylalanine derivative		human metabolite;
mouse metabolite		00low000000
pantetheine
0
pantetheines;
thiol		human metabolite;
metabolite;
mouse metabolite		00low000000
tryptophanamide
0
amino acid amide;
tryptophan derivative		human metabolite00low000000
5-diphosphomevalonic acid
0
carboxyalkyl phosphatehuman metabolite;
mouse metabolite		00low000000
7-dehydrocholesterol
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
Delta(5),Delta(7)-sterol		human metabolite;
mouse metabolite		00low000000
cysteinylglycine
0
dipeptide zwitterion;
dipeptide		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
desmosterol
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C27-steroid;
cholestanoid		human metabolite;
mouse metabolite		00low000000
monoiodotyrosine
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		00low000000
taurolithocholic acid
0
bile acid taurine conjugate;
monocarboxylic acid amide		human metabolite00low000000
n'-formylkynurenine
0
amino acid zwitterion;
N-formylkynurenine;
non-proteinogenic amino acid derivative;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
fuculose 1-phosphate
0
deoxyaldohexose phosphatehuman metabolite00low000000
nicotinamide-beta-riboside
0
N-glycosylnicotinamide;
pyridine nucleoside		geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
4-hydroxyphenylacetaldehyde
0
alpha-CH2-containing aldehyde;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
trimethyllysine
0
alpha-amino-acid cationhuman metabolite;
mouse metabolite		00low000000
inositol 3,4-bisphosphate
0
myo-inositol bisphosphatehuman metabolite;
mouse metabolite		00low000000
n-acetylglucosamine-1-phosphate
0
N-acetyl-D-glucosamine 1-phosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
24,25-dihydrolanosterol
0
3beta-sterol;
tetracyclic triterpenoid		human metabolite;
mouse metabolite		00low000000
2-hydroxyestrone
0
2-hydroxy steroid;
catechols		human metabolite00low000000
2-methoxyestrone
0
17-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols		human metabolite;
mouse metabolite		00low000000
cortodoxone
0
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		00low000000
estradiol-3-glucuronide
0
17beta-hydroxy steroid;
beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
mouse metabolite		00low000000
acetyl adenylate
0
5'-acylphosphoadenosinhuman metabolite;
mouse metabolite		00low000000
epiandrosterone
0
17-oxo steroid;
3beta-hydroxy steroid;
androstanoid		androgen;
human metabolite		00low000000
4,4-dimethylcholesta-8,14,24-trienol
0
3beta-sterol;
Delta(14) steroid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
enkephalin, methionine
0
pentapeptide;
peptide zwitterion		analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist		00low000000
7-ketolithocholic acid
0
3alpha-hydroxy steroid;
bile acid;
monohydroxy-5beta-cholanic acid;
oxo-5beta-cholanic acid		human metabolite00low000000
dephosphocoenzyme a
0
adenosine 5'-phosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
tretinoin
27
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		1990201324.7low00151020
arachidonic acid
75
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		1986202223.5low154018102
3-hydroxy-3-methylglutaryl-coenzyme a
0
3-hydroxy-3-methylglutaryl-CoA;
3-hydroxy fatty acyl-CoA		human metabolite;
mouse metabolite		00low000000
retinol
1
retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite		1985198539.0low010000
ribothymidine
0
methyluridineantigen;
Escherichia coli metabolite;
human metabolite		00low000000
docosahexaenoate
0
docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical		00low000000
tetragastrin
0
peptidyl amide;
tetrapeptide		anxiogenic;
human metabolite		00low000000
prostaglandin d2
3
prostaglandins Dhuman metabolite;
mouse metabolite		2007201810.7low000120
hexanoyl-coenzyme a
0
medium-chain fatty acyl-CoAEscherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
enkephalin, leucine
2
pentapeptide;
peptide zwitterion		analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite		1995200126.0low001100
tyrosine o-sulfate
0
aryl sulfate;
L-tyrosine derivative;
O-sulfoamino acid		human metabolite00low000000
retinaldehyde
1
retinal;
vitamin A		gap junctional intercellular communication inhibitor;
human metabolite;
mouse metabolite		1992199232.0low001000
squalene
0
triterpenehuman metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
thyrotropin-releasing hormone
0
peptide hormone;
tripeptide		human metabolite00low000000
n-methylproline
0
L-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound		human metabolite;
plant metabolite		00low000000
citraconic acid
0
dicarboxylic acid;
dicarboxylic fatty acid		human metabolite00low000000
flavin-adenine dinucleotide
3
flavin adenine dinucleotide;
vitamin B2		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group		1971202124.0low010101
flavin mononucleotide
0
flavin mononucleotide;
vitamin B2		bacterial metabolite;
coenzyme;
cofactor;
human metabolite;
mouse metabolite		00low000000
mannose 1-phosphate
0
mannose phosphatefundamental metabolite;
human metabolite		00low000000
glycerylphosphorylcholine
0
phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite		00low000000
urocanic acid
0
urocanic acidhuman metabolite00low000000
cysteine sulfinic acid
0
organosulfinic acid;
S-substituted L-cysteine		Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite		00low000000
cholesterol acetate
0
acetate ester;
cholesteryl ester		human metabolite00low000000
1,6-anhydro-beta-glucopyranose
0
anhydrohexoseArabidopsis thaliana metabolite;
biomarker;
human metabolite		00low000000
glycylvaline
0
dipeptidehuman metabolite00low000000
sodium taurodeoxycholate
0
bile acid taurine conjugatehuman metabolite00low000000
estrone sulfate
0
17-oxo steroid;
steroid sulfate		human metabolite;
mouse metabolite		00low000000
hydroxylysine
1
5-hydroxylysine;
hydroxy-L-lysine		human metabolite1978197846.0low010000
glycodeoxycholic acid
0
bile acid glycine conjugatehuman metabolite00low000000
isobutyryl-coenzyme a
0
methyl-branched fatty acyl-CoA;
short-chain fatty acyl-CoA		human metabolite;
mouse metabolite		00low000000
galactaric acid
0
hexaric acidhuman metabolite00low000000
dihydroxycoprostane
0
3alpha-hydroxy steroid;
7alpha-hydroxy steroid		human metabolite;
mouse metabolite		00low000000
angiotensin i, ile(5)-
0
angiotensin;
peptide zwitterion		human metabolite;
neurotransmitter agent		00low000000
fructosyl-glycine
0
fructosamine;
glycine derivative;
glyco-amino acid		human metabolite00low000000
arachidoyl-coenzyme a
0
11,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA		human metabolite00low000000
lignoceroyl-coenzyme a
0
very long-chain fatty acyl-CoAhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
5-hydroxybenzimidazole
0
benzimidazoles;
phenols		bacterial metabolite;
human metabolite;
rat metabolite		00low000000
n-carbamylglutamate
0
glutamic acid derivative;
ureas		human metabolite00low000000
citramalate
0
dicarboxylic acid dianionhuman metabolite;
plant metabolite		00low000000
4-cresol sulfate
0
aryl sulfategut flora metabolite;
human metabolite;
uremic toxin		00low000000
bilirubin
4
biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite		2000201718.0low101210
dinoprostone
48
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		1989201918.8low04919160
dinoprost
11
monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite		1992200923.3low007400
leukotriene a4
0
epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid		human metabolite;
mouse metabolite;
plant metabolite		00low000000
prostaglandin b1
0
prostaglandins Bhuman metabolite00low000000
calcitriol
20
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		1989201721.6low027740
psychosine
92
glycosylsphingoidhuman metabolite1974202030.6high041242250
ubiquinone 9
0
ubiquinonesantioxidant;
human metabolite		00low000000
beta carotene
0
carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A		00low000000
11-cis-retinal
4
retinalchromophore;
human metabolite;
mouse metabolite		2003201217.2low000310
leukotriene b4
9
dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent		1987201128.9low025110
leukotriene c4
1
leukotrienebronchoconstrictor agent;
human metabolite;
mouse metabolite		1998199826.0low001000
prostaglandin f2beta
0
prostaglandins Fbetahuman metabolite00low000000
8,11,14-eicosatrienoic acid
1
fatty acid 20:3;
long-chain fatty acid		fungal metabolite;
human metabolite;
nutraceutical		2008200816.0low000100
15-keto-5,8,11,13-eicosatetraenoic acid
0
oxoicosatetraenoic acidhuman metabolite00low000000
alprostadil
4
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		1998201418.2low002020
15-hydroxy-5,8,11,13-eicosatetraenoic acid
0
(5Z,8Z,11Z,13E)-15-HETEhuman metabolite;
mouse metabolite		00low000000
5-hydroxy-6,8,11,14-eicosatetraenoic acid
0
HETEhuman metabolite;
mouse metabolite		00low000000
cholecalciferol
3
D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite		1996201320.0low001110
leukotriene d4
1
dipeptide;
leukotriene;
organic sulfide		bronchoconstrictor agent;
human metabolite;
mouse metabolite		1995199529.0low001000
prostaglandin a2
0
prostaglandins Ahuman metabolite00low000000
prostaglandin b2
0
prostaglandins Bhuman metabolite00low000000
prostaglandin g2
0
prostaglandins Ghuman metabolite;
mouse metabolite		00low000000
9-deoxy-delta-9-prostaglandin d2
0
prostaglandins Jhuman metabolite00low000000
6-ketoprostaglandin f1 alpha
0
prostaglandins Falphahuman metabolite;
mouse metabolite		00low000000
11-dehydro-thromboxane b2
0
thromboxanehuman metabolite00low000000
lipoxin a4
0
hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite		00low000000
gamma-linolenic acid
0
linolenic acid;
omega-6 fatty acid		human metabolite;
mouse metabolite;
plant metabolite		00low000000
prostaglandin e3
0
prostaglandins Ehuman metabolite00low000000
leukotriene f-4
0
dipeptide;
leukotriene;
organic sulfide		human metabolite00low000000
prostaglandin f1
0
prostaglandins Falphahuman metabolite00low000000
previtamin d(3)
0
D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol		human metabolite00low000000
brassicasterol
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		00low000000
retinoyl beta-glucuronide
0
glucuronic acids;
retinoid		human metabolite00low000000
coenzyme q10
0
ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite		00low000000
prostaglandin d3
0
prostaglandins Dhuman metabolite00low000000
glyceryl 2-arachidonate
0
2-acylglycerol 20:4;
endocannabinoid		human metabolite00low000000
tocotrienol, alpha
0
tocotrienol;
vitamin E		ferroptosis inhibitor;
human metabolite;
neuroprotective agent;
plant metabolite		00low000000
11-ketotestosterone
0
11-oxo steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
human metabolite;
marine xenobiotic metabolite		00low000000
menatetrenone
0
menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent		00low000000
phthioic acid
0
branched-chain saturated fatty acid;
fatty acid 26:0;
methyl-branched fatty acid;
very long-chain fatty acid		Aspergillus metabolite;
human metabolite		00low000000
2-decenoic acid
0
2-decenoic acidhuman metabolite00low000000
9,11-linoleic acid
0
octadeca-9,11-dienoic acidanti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite		00low000000
9-hydroxy-10,12-octadecadienoic acid
0
HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite		00low000000
17-phenyltrinorprostaglandin e2
0
alicyclic ketone;
beta-hydroxy ketone;
hydroxy monocarboxylic acid;
olefinic compound;
oxo monocarboxylic acid;
prostanoid;
secondary alcohol		human metabolite;
prostaglandin receptor agonist		00low000000
thromboxane b2
3
thromboxanes Bhuman metabolite;
mouse metabolite		1990201725.0low002010
thromboxane b3
0
thromboxanes Bhuman metabolite;
mouse metabolite		00low000000
12-hydroxy-5,8,10,14-eicosatetraenoic acid
0
(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid;
HETE		human metabolite;
pro-angiogenic agent		00low000000
20-hydroxy-5,8,11,14-eicosatetraenoic acid
0
HETE;
hydroxy monocarboxylic acid		human metabolite;
mouse metabolite		00low000000
5-oxo-6,8,11,14-eicosatetraenoic acid
0
oxoicosatetraenoic acidhuman metabolite;
immunomodulator;
mouse metabolite		00low000000
8-isoprostaglandin e2
0
cyclic ketone;
diol;
prostanoid;
secondary alcohol		bronchoconstrictor agent;
human metabolite;
rat metabolite;
vasoconstrictor agent		00low000000
oleylamide
0
primary fatty amidehuman metabolite;
plant metabolite		00low000000
monolinolein
0
1-acylglycerol 18:2;
rac-1-monoacylglycerol		antiviral agent;
human metabolite;
plant metabolite		00low000000
1,25-dihydroxy-24-oxo-vitamin d3
0
hydroxycalciol;
oxocalciol;
tertiary alpha-hydroxy ketone		human metabolite00low000000
calcifediol
0
D3 vitamins;
diol;
hydroxycalciol		bone density conservation agent;
human metabolite;
metabolite;
mouse metabolite;
nutraceutical		00low000000
hyodeoxycholic acid
0
5beta-cholanic acids;
6alpha,20xi-murideoxycholic acid;
bile acid;
C24-steroid		human metabolite;
mouse metabolite		00low000000
vitamin k 1
0
phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite		00low000000
cerium
0
CE(18:2);
cholesteryl octadeca-9,12-dienoate		human metabolite;
mouse metabolite		00low000000
xylulose
0
xyluloseEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
11-dehydrocorticosterone
0
11-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		00low000000
1-butyl oleate
0
fatty acid esterhuman metabolite00low000000
8-hydroxyadenine
0
6-aminopurines;
heteroaryl hydroxy compound;
nucleobase analogue;
oxopurine		bacterial metabolite;
human metabolite		00low000000
erucyl amide
0
13-docosenamideEC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite;
mammalian metabolite;
plant metabolite;
rat metabolite		00low000000
vitamin mk 8
0
menaquinoneEscherichia coli metabolite;
human metabolite		00low000000
2,3-oxidosqualene
0
2,3-epoxysqualenehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
2-keto-4-hydroxyglutarate
0
oxo dicarboxylatehuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
deoxyribose
0
deoxypentosehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
iditol
0
iditolfungal metabolite;
human metabolite		00low000000
glutamate
0
glutamate(1-);
polar amino acid zwitterion		EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
fumarates
23
butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite		2007201511.8low0005180
cerotate
0
fatty acid anion 26:0;
omega-methyl fatty acid anion;
very long-chain fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
adenosine triphosphate
0
nucleoside 5'-triphoshate(4-)cofactor;
fundamental metabolite;
human metabolite		00low000000
docosapentaenoic acid
0
docosapentaenoic acid;
omega-3 fatty acid		algal metabolite;
human metabolite		00low000000
3-methylbutyrylcarnitine
0
C5-acylcarnitinehuman metabolite00low000000
hexanoylcarnitine
0
hexanoate ester;
O-acylcarnitine		human metabolite00low000000
linoleamide
0
primary fatty amidehuman metabolite00low000000
13-cis-retinal
0
retinalhuman metabolite00low000000
4-hydroxyretinoic acid
0
retinoid;
secondary allylic alcohol		human metabolite00low000000
4-oxo-2-nonenal
0
enal;
enone		human metabolite00low000000
20,22-dihydroxycholesterol
0
20-hydroxy steroid;
22-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
oxysterol		human metabolite;
mouse metabolite		00low000000
biotinate
0
monocarboxylic acid anion;
vitamin B7		cofactor;
human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
6 beta-hydroxycortisol
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		00low000000
fuculose
0
deoxyketohexoseEscherichia coli metabolite;
human metabolite		00low000000
gamma-glutamylvaline
0
glutamyl-L-amino acidhuman metabolite00low000000
ophthalmic acid
0
L-glutamine derivativebiomarker;
human metabolite		00low000000
acetylcarnitine
0
O-acetylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
adenosine diphosphate
0
nucleoside 5'-diphosphate(3-)fundamental metabolite;
human metabolite		00low000000
cyclic amp
0
organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
1,23,25-trihydroxyvitamin d3
0
D3 vitamins;
hydroxy seco-steroid;
hydroxycalciol;
tetrol		human metabolite00low000000
phosphocreatine
0
phosphagen;
phosphoamino acid		human metabolite;
mouse metabolite		00low000000
ursodoxicoltaurine
0
bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent		00low000000
arachidonoylserotonin
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		00low000000
homocarnosine
0
dipeptide zwitterion;
dipeptide;
homocarnosine;
L-histidine derivative;
N-acyl-L-alpha-amino acid anion;
N-acyl-L-alpha-amino acid		human metabolite00low000000
3-hydroxyproline
0
3-hydroxyproline;
amino acid zwitterion;
D-proline derivative		bacterial metabolite;
human metabolite		00low000000
cytidine diphosphate choline
0
nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite		00low000000
octanoylcarnitine
0
O-octanoylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite00low000000
palmitoylcarnitine
11
O-palmitoylcarnitine;
saturated fatty acyl-L-carnitine		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
human metabolite;
mouse metabolite		1987202225.1low033311
cyclic 3',5'-thymidine monophosphate
0
3',5'-cyclic pyrimidine nucleotidehuman metabolite00low000000
pristanal
0
2-methyl-branched fatty aldehyde;
saturated fatty aldehyde		human metabolite00low000000
lanosten-3-ol-32-al
0
14alpha-formyl steroid;
3beta-sterol;
tetracyclic triterpenoid		human metabolite00low000000
thiamine pyrophosphate
0
organophosphate oxoanion;
vitamin B1		human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
adenosine monophosphate
0
nucleoside 5'-monophosphate(2-)cofactor;
fundamental metabolite;
human metabolite		00low000000
nad
7
organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite		1977201036.0low050200
cob(ii)alamin
0
cobalamincofactor;
human metabolite		00low000000
nociceptin
1
organic molecular entity;
polypeptide		human metabolite;
rat metabolite		2005200519.0low000100
3-hydroxy-3-methyl-hexanoic acid
0
3-hydroxy monocarboxylic acid;
volatile organic compound		human metabolite00low000000
uridine diphosphate
0
nucleoside 5'-diphosphate(3-)human metabolite;
Saccharomyces cerevisiae metabolite		00low000000
n-acetylgalactosamine-1-phosphate
0
D-galactosamine 1-phosphatehuman metabolite00low000000
1-phospho-5-s-methylthioribulose
0
organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
s-adenosylmethionine
2
organic cation;
sulfonium compound		coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		1989200825.5low010100
10-nitro-oleic acid
0
long-chain fatty acid;
monounsaturated fatty acid;
nitro fatty acid		human metabolite00low000000
ticrynafen
0
monocarboxylic acid anion;
organophosphate oxoanion		human metabolite00low000000
s-(1,2-dicarboxyethyl)cysteine
0
L-cysteine thioether;
tricarboxylic acid		human metabolite;
Maillard reaction product		00low000000
neurotensin
1
peptide hormonehuman metabolite;
mitogen;
neurotransmitter;
vulnerary		1992199232.0low001000
apelin-13 peptide
0
oligopeptideantihypertensive agent;
autophagy inhibitor;
biomarker;
human metabolite;
neuroprotective agent		00low000000
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe
0
polypeptideapoptosis inhibitor;
human metabolite;
neuroprotective agent		00low000000
taurolithocholic acid 3-sulfate
0
steroid sulfate oxoanionhuman metabolite00low000000
inositol 1,3,4-trisphosphate
0
inositol phosphate oxoanionhuman metabolite00low000000
diadenosine tetraphosphate
0
organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
2-ketoarginine
0
2-oxo monocarboxylic acid;
zwitterion		human metabolite;
mouse metabolite		00low000000
adenosine diphosphate glucose
0
NDP-alpha-D-glucose(2-);
ribonucleoside 5'-diphosphate-alpha-D-glucose(2-)		human metabolite00low000000
nicotinate mononucleotide
0
organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
oleoylcarnitine
0
monounsaturated fatty acyl-L-carnitineglycine transporter 2 inhibitor;
human metabolite		00low000000
uridine diphosphate n-acetylgalactosamine
0
nucleotide-sugar oxoanionhuman metabolite00low000000
6-phosphogluconolactone
0
organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite		00low000000
3-hydroxyisovalerylcarnitine
0
O-acylcarnitinehuman metabolite00low000000
angiotensin i
0
angiotensin;
peptide zwitterion		antihypertensive agent;
cardioprotective agent;
human metabolite;
rat metabolite		00low000000
9-PAHSA
0
FAHFA;
long-chain fatty acid		anti-inflammatory agent;
human metabolite;
hypoglycemic agent		00low000000
angiotensin i
0
angiotensin;
peptide zwitterion		human metabolite;
neurotransmitter agent		00low000000
lugdunin
0
homodetic cyclic peptide;
indoles;
macrocycle;
peptide antibiotic;
thiazolidines		human metabolite;
rat metabolite		00low000000
cyclic gmp
12
3',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1990201322.0low006420
deoxyguanosine
1
purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
deoxyinosine
0
purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
deoxyguanosine triphosphate
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		00low000000
7,8-dihydroneopterin
0
dihydropterin;
neopterins		Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
deoxyinosine monophosphate
0
deoxyinosine phosphate;
purine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite		00low000000
guanosine diphosphate mannose
0
GDP-D-mannoseEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite		00low000000
guanine
1
2-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1990199034.0low001000
inosinic acid
0
inosine phosphate;
purine ribonucleoside 5'-monophosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
inosine
1
inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201720177.0low000010
inosine triphosphate
0
inosine phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite		00low000000
sapropterin
0
5,6,7,8-tetrahydrobiopterincoenzyme;
cofactor;
diagnostic agent;
human metabolite		00low000000
folic acid
2
folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient		1998200522.5low001100
dyspropterin
0
biopterins;
tetrahydropterin		human metabolite;
metabolite;
mouse metabolite		00low000000
8-nitroguanosine 3',5'-cyclic monophosphate
0
3',5'-cyclic purine nucleotide;
C-nitro compound		biomarker;
Brassica napus metabolite;
human metabolite;
signalling molecule		00low000000
n(2),n(2)-dimethylguanosine
0
methylguanosinehuman metabolite00low000000
creatinine
0
imidazolidinone;
lactam		diagnostic agent;
human metabolite		00low000000
apelin-12 peptide
0
oligopeptidebiomarker;
human blood serum metabolite;
human metabolite;
neuroprotective agent		00low000000
alpha-hydroxyglutarate
0
2-hydroxydicarboxylic acid;
dicarboxylic fatty acid		metabolite;
mouse metabolite		00low000000
alpha-ketoadipic acid
0
oxo dicarboxylic acidhuman urinary metabolite;
mouse metabolite		00low000000
n-carbamoyl-beta-alanine
0
beta-alanine derivativemetabolite;
mouse metabolite		00low000000
4-aminobutyraldehyde
0
aminobutanal;
omega-aminoaldehyde		Escherichia coli metabolite;
mouse metabolite		00low000000
4-hydroxybenzaldehyde
0
hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite		00low000000
ethylene glycol
0
ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin		00low000000
agmatine
0
guanidines;
primary amino compound		Escherichia coli metabolite;
mouse metabolite		00low000000
allantoic acid
0
ureasmouse metabolite;
plant metabolite		00low000000
aminoacetone
0
methyl ketone;
propanones		Escherichia coli metabolite;
mouse metabolite		00low000000
ammonium hydroxide
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		2014201410.0low000010
hydrobromic acid
0
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite00low000000
butyraldehyde
0
butanalsbiomarker;
Escherichia coli metabolite;
mouse metabolite		00low000000
cadaverine
1
alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite		2005200519.0low000100
carbamyl phosphate
0
acyl monophosphate;
one-carbon compound		Escherichia coli metabolite;
mouse metabolite		00low000000
hydrochloric acid
2
chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite1974200534.5low010100
coproporphyrinogen iii
0
coproporphyrinogenEscherichia coli metabolite;
mouse metabolite		00low000000
1,2-dihydroxy-1,2-dihydronaphthalene
0
dihydronaphthalenes;
naphthalenediols		bacterial xenobiotic metabolite;
mouse metabolite		00low000000
4-nitrophenylphosphate
0
aryl phosphatemouse metabolite00low000000
n(1)-methylnicotinamide
0
pyridinium ionalgal metabolite;
anti-inflammatory agent;
human urinary metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
phosphonoacetaldehyde
0
phosphonic acidsmouse metabolite00low000000
gamma-guanidinobutyric acid
0
guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
phosphoglycolate
0
carboxyalkyl phosphateEscherichia coli metabolite;
mouse metabolite		00low000000
hydrogen selenide
0
mononuclear parent hydride;
selenium hydride		Escherichia coli metabolite;
mouse metabolite		00low000000
3,3-dimethylallyl pyrophosphate
0
prenol phosphateepitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen		00low000000
diethyl phosphate
0
dialkyl phosphatehuman xenobiotic metabolite;
mouse metabolite		00low000000
o,o-diethyl phosphorothionate
0
organic thiophosphatehuman xenobiotic metabolite;
mouse metabolite		00low000000
formaldehyde
1
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		2007200717.0low000100
carbonic acid
0
carbon oxoacid;
chalcocarbonic acid		mouse metabolite00low000000
hydantoin-5-propionic acid
0
imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite		00low000000
hydroquinone
0
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		00low000000
hydroxymethylbilane
0
bilanesEscherichia coli metabolite;
mouse metabolite		00low000000
lactaldehyde
0
hydroxyaldehyde;
propanals		mouse metabolite00low000000
naphthalene
0
naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component		00low000000
niacinamide
6
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		1998201715.0low002040
niacin
2
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		2013201311.0low000020
hydroxide ion
0
oxygen hydridemouse metabolite00low000000
orotic acid
0
pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
4-nitrophenol
0
4-nitrophenolshuman xenobiotic metabolite;
mouse metabolite		00low000000
parathion
0
C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite		00low000000
phenanthrene
0
ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite		00low000000
phenol
0
phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite		00low000000
porphobilinogen
1
aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite		2007200717.0low000100
propylene glycol
0
glycol;
propane-1,2-diols		allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent		00low000000
pyridoxine 5-phosphate
0
vitamin B6 phosphateEscherichia coli metabolite;
mouse metabolite		00low000000
succinic semialdehyde
0
aldehydic acidEscherichia coli metabolite;
mouse metabolite		00low000000
tartronate semialdehyde
0
2-hydroxy monocarboxylic acid;
3-oxo monocarboxylic acid;
aldehyde		Escherichia coli metabolite;
mouse metabolite		00low000000
uroporphyrinogen iii
0
uroporphyrinogenEscherichia coli metabolite;
mouse metabolite		00low000000
isopentenyl pyrophosphate
0
prenol phosphateantigen;
antioxidant;
epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen		00low000000
6-hydroxymelatonin
0
acetamides;
tryptamines		metabolite;
mouse metabolite		00low000000
adrenic acid
0
docosatetraenoic acidmouse metabolite00low000000
benzo(a)pyrene
1
ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite		1994199430.0low001000
caffeine
8
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		1992201522.6low004220
chloral hydrate
0
aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic		00low000000
quinone
0
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite		00low000000
1,7-dimethylxanthine
0
dimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite		00low000000
theobromine
0
dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		00low000000
aspartic acid
7
aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter		1988201225.1low021310
uridine diphosphate
3
pyrimidine ribonucleoside 5'-diphosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite		1996200722.0low001200
galactose
58
D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite		1971200644.7low04510300
cytidine diphosphate
0
cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-diphosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
uridine triphosphate
5
pyrimidine ribonucleoside 5'-triphosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite		1995201619.8low003020
phenylalanine
3
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		1999200423.0low002100
cytidine triphosphate
1
cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite		1997199727.0low001000
1-naphthaldehyde
0
naphthaldehydemouse metabolite00low000000
2-naphthaldehyde
0
naphthaldehydemouse metabolite00low000000
ornithine
1
non-proteinogenic L-alpha-amino acid;
ornithine		algal metabolite;
hepatoprotective agent;
mouse metabolite		201920195.0low000010
arginine
5
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2000202211.0low001031
methylamine
0
methylamines;
one-carbon compound;
primary aliphatic amine		mouse metabolite00low000000
ethylene oxide
2
gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen		2004201315.5low000110
vinylidene chloride
0
chloroethenescarcinogenic agent;
mouse metabolite;
mutagen		00low000000
trichloroacetaldehyde
0
aldehyde;
organochlorine compound		mouse metabolite00low000000
trichloroacetic acid
1
monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite		201920195.0low000010
gibberellic acid
0
C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite		00low000000
trichloroethylene
0
chloroethenesinhalation anaesthetic;
mouse metabolite		00low000000
pyridoxic acid
0
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		human urinary metabolite;
mouse metabolite		00low000000
1-nitronaphthalene
0
mononitronaphthaleneenvironmental contaminant;
mouse metabolite		00low000000
beta-glucono-1,5-lactone
0
aldono-1,5-lactone;
gluconolactone		animal metabolite;
mouse metabolite		00low000000
2-naphthoic acid
0
naphthoic acidmouse metabolite;
xenobiotic metabolite		00low000000
methylphenyl carbinol
0
aromatic alcoholmouse metabolite00low000000
4-hydroxyacetophenone
0
monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite		00low000000
styrene
0
styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite		00low000000
2-phenylacetamide
0
monocarboxylic acid amidemouse metabolite00low000000
4-bromophenol
0
bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite		00low000000
ethylene dibromide
0
bromoalkane;
bromohydrocarbon		algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen		00low000000
bromobenzene
0
bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent		00low000000
2-heptanone
0
dialkyl ketone;
methyl ketone		mouse metabolite;
pheromone		00low000000
2,2,2-trichloroethanol
0
chloroethanolmouse metabolite00low000000
2-naphthol
1
naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger		2013201311.0low000010
D-proline
0
D-alpha-amino acid zwitterion;
D-alpha-amino acid;
proline		mouse metabolite00low000000
paraoxon
0
aryl dialkyl phosphate;
organophosphate insecticide		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite		00low000000
aminoimidazole carboxamide
0
aminoimidazole;
monocarboxylic acid amide		mouse metabolite00low000000
methyl-4-tyramine
0
tyraminesmouse metabolite00low000000
phosphoadenosine phosphosulfate
1
acyl sulfate;
adenosine bisphosphate;
purine ribonucleoside bisphosphate		Escherichia coli metabolite;
mouse metabolite		1995199529.0low001000
adenosine phosphosulfate
0
acyl monophosphate;
acyl sulfate;
adenosine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
fructose-1,6-diphosphate
0
D-fructofuranose 1,6-bisphosphatemouse metabolite00low000000
hydroxyhydroquinone
0
benzenetriolmouse metabolite00low000000
1,2-dihydroxynaphthalene
0
naphthalenediolmouse metabolite00low000000
propiolaldehyde
0
terminal acetylenic compound;
ynal		mouse metabolite00low000000
phenylphosphate
0
aryl phosphatemouse metabolite00low000000
n-cyclohexylformamide
0
alicyclic compound;
formamides		mouse metabolite00low000000
deoxycytidine monophosphate
0
2'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
nicotinamide mononucleotide
0
nicotinamide mononucleotideEscherichia coli metabolite;
mouse metabolite		00low000000
dihydroferulic acid
0
guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite		00low000000
2'-deoxyadenosine triphosphate
0
2'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
fucose
13
fucopyranose;
L-fucose		Escherichia coli metabolite;
mouse metabolite		1971198646.8low0130000
uridine diphosphate galactose
2
UDP-D-galactosemouse metabolite1980199536.5low011000
1-naphthalenemethanol
0
naphthylmethanolmouse metabolite00low000000
diadenosine tetraphosphate
0
diadenosyl tetraphosphateEscherichia coli metabolite;
mouse metabolite		00low000000
d-glutamate
0
D-alpha-amino acid;
glutamic acid		Escherichia coli metabolite;
mouse metabolite		00low000000
hydroiodic acid
0
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite00low000000
trichloroepoxyethane
0
epoxidemouse metabolite00low000000
glutamic acid
26
glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical		1988202119.0low0261071
adenosine diphosphate ribose
0
ADP-sugarEscherichia coli metabolite;
mouse metabolite		00low000000
phosphopantothenic acid
0
amidoalkyl phosphateEscherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
cyromazine
0
triamino-1,3,5-triazinemouse metabolite;
triazine insecticide		00low000000
glucose, (beta-d)-isomer
20
D-glucopyranoseepitope;
mouse metabolite		1975202128.2low077051
thymidine 5'-triphosphate
0
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate;
thymidine phosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
2'-deoxyuridylic acid
0
deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
obtusifoliol
0
14alpha-methyl steroid;
3beta-sterol		mouse metabolite;
plant metabolite		00low000000
glutathione disulfide
0
glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite		00low000000
3'-cmp
0
cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
7-methylxanthine
0
oxopurine;
purine alkaloid		human xenobiotic metabolite;
mouse metabolite;
plant metabolite		00low000000
cifostodine
0
2',3'-cyclic pyrimidine nucleotideEscherichia coli metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite		00low000000
n'-methyl-2-pyridone-5-carboxamide
0
methylpyridines;
pyridinecarboxamide;
pyridone		metabolite;
mouse metabolite		00low000000
1-methyluric acid
0
oxopurinehuman xenobiotic metabolite;
mouse metabolite		00low000000
cyclopropylamine
0
primary aliphatic aminemouse metabolite00low000000
6-hydroxynicotinic acid
0
monohydroxypyridineArabidopsis thaliana metabolite;
human urinary metabolite;
mouse metabolite		00low000000
xanthosine 5'-triphosphate
0
purine ribonucleoside 5'-monophosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
2-naphthalenemethanol
0
naphthylmethanolmouse metabolite;
xenobiotic metabolite		00low000000
xanthurenic acid 8-methyl ether
0
aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite		00low000000
glucose
0
D-glucopyranosemouse metabolite00low000000
1,3,7-trimethylurate
0
oxopurinehuman blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite		00low000000
1-methylxanthine
0
1-methylxanthinemouse metabolite00low000000
3,7-dimethyluric acid
0
oxopurinemetabolite;
mouse metabolite		00low000000
biocytin
0
azabicycloalkane;
L-alpha-amino acid zwitterion;
L-lysine derivative;
monocarboxylic acid amide;
non-proteinogenic L-alpha-amino acid;
thiabicycloalkane;
ureas		mouse metabolite00low000000
d-aspartic acid
0
aspartic acid;
D-alpha-amino acid		mouse metabolite00low000000
coenzyme a
13
adenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite		1971200149.0low0120100
3,4-dihydroxyphenylglycol
0
catechols;
tetrol		metabolite;
mouse metabolite		00low000000
homocysteine
2
amino acid zwitterion;
homocysteine;
serine family amino acid		fundamental metabolite;
mouse metabolite		201320179.0low000020
1,7-dimethyluric acid
0
oxopurinehuman xenobiotic metabolite;
mouse metabolite		00low000000
24-methylenecholesterol
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol		mouse metabolite00low000000
succinyl-coenzyme a
0
omega-carboxyacyl-CoAEscherichia coli metabolite;
inhibitor;
mouse metabolite		00low000000
acetoacetyl coa
0
3-oxo-fatty acyl-CoAEscherichia coli metabolite;
mouse metabolite		00low000000
2,8-dihydroxyadenine
0
6-aminopurines;
diol;
heteroaryl hydroxy compound;
oxopurine		human urinary metabolite;
mammalian metabolite;
mouse metabolite;
nephrotoxic agent		00low000000
propionyl-coenzyme a
0
acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
21-deoxycortisol
0
11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite		00low000000
stearoyl-coenzyme a
0
11,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA		Escherichia coli metabolite;
mouse metabolite		00low000000
imidazoleacetic acid
0
imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite		00low000000
1-hydroxyphenanthrene
0
phenanthrolmouse metabolite00low000000
2,5-dihydroxypyridine
0
dihydroxypyridinemouse metabolite00low000000
cerium
0
cholesteryl estermouse metabolite00low000000
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol
0
carbobicyclic compound;
pinane monoterpenoid;
secondary alcohol		GABA modulator;
mouse metabolite;
plant metabolite;
volatile oil component		00low000000
ecgonine methyl ester
0
methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug		00low000000
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine
0
hydroxylamine;
imidazopyridine		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite		00low000000
cholest-5-en-3 beta,7 alpha-diol
0
3beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid;
oxysterol		mouse metabolite00low000000
s-chloromethylglutathione
0
organochlorine compound;
S-substituted glutathione		alkylating agent;
bacterial xenobiotic metabolite;
mouse metabolite		00low000000
5-acetylamino-6-formylamino-3-methyluracil
0
formamidopyrimidinemouse metabolite00low000000
anserine
0
beta-alanine derivative;
dipeptide;
zwitterion		animal metabolite;
mouse metabolite		00low000000
5,6-dihydroxyindole
0
dihydroxyindolemouse metabolite00low000000
5,6-dihydroxy-2-indolylcarboxylic acid
0
dihydroxyindolemouse metabolite00low000000
protoporphyrinogen
0
porphyrinogensEscherichia coli metabolite;
mouse metabolite		00low000000
inositol-3,4,5,6-tetrakisphosphate
0
myo-inositol tetrakisphosphatemouse metabolite00low000000
24-hydroxycholesterol
0
24-hydroxycholesterolbiomarker;
human blood serum metabolite;
mouse metabolite		00low000000
phytosphingosine
0
amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
butyryl-coenzyme a
0
butanoyl-CoAsEscherichia coli metabolite;
mouse metabolite		00low000000
n-acetylputrescine
0
N-monoacetylalkane-alpha,omega-diamine;
N-substituted putrescine		metabolite;
mouse metabolite		00low000000
cdp ethanolamine
0
nucleotide-(amino alcohol)s;
phosphoethanolamine		mouse metabolite00low000000
galactose-1-phosphate
0
alpha-D-hexose 1-phosphate;
D-galactopyranose 1-phosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine
0
1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 30:0;
tetradecanoate ester		mouse metabolite00low000000
proline
5
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		1998201217.8low001310
d-glutamine
0
amino acid zwitterion;
D-alpha-amino acid;
glutamine		mouse metabolite00low000000
diquafosol
0
pyrimidine ribonucleoside 5'-tetraphosphate;
uridine 5'-phosphate		mouse metabolite;
P2Y2 receptor agonist		00low000000
19-hydroxytestosterone
0
17beta-hydroxy steroid;
19-hydroxy steroid;
3-oxo-Delta(4) steroid		mouse metabolite00low000000
2-hydroxy-1,4-benzoquinone
0
monohydroxy-1,4-benzoquinonesmouse metabolite00low000000
sorbitol 6-phosphate
0
alditol 6-phosphate;
glucitol phosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
adenosine 3'-phosphate-5'-phosphate
0
adenosine bisphosphateEscherichia coli metabolite;
mouse metabolite		00low000000
alpha-ribazole
0
1-ribosylbenzimidazole;
dimethylbenzimidazole		Escherichia coli metabolite;
mouse metabolite		00low000000
saicar
0
1-(phosphoribosyl)imidazolecarboxamideEscherichia coli metabolite;
mouse metabolite		00low000000
thymidine 5'-diphosphate
0
pyrimidine 2'-deoxyribonucleoside 5'-diphosphate;
thymidine phosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
hydromethylthionine
0
aromatic amine;
phenothiazines;
tertiary amino compound		bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite		00low000000
5-hydroxykynuramine
0
hydroxykynurenamine;
primary amino compound		mouse metabolite00low000000
sedoheptulose 1,7-bisphosphate
0
ketoheptose phosphate;
sedoheptulose derivative		Escherichia coli metabolite;
mouse metabolite		00low000000
diadenosine triphosphate
0
diadenosyl triphosphatemouse metabolite00low000000
carboxyaminoimidazole ribotide
0
1-(phosphoribosyl)imidazole;
aminoimidazole;
imidazole-4-carboxylic acid		Escherichia coli metabolite;
mouse metabolite		00low000000
isovaleryl-coenzyme a
0
methylbutanoyl-CoA;
short-chain fatty acyl-CoA		mouse metabolite00low000000
lauroyl-coenzyme a
0
medium-chain fatty acyl-CoAEscherichia coli metabolite;
mouse metabolite		00low000000
phenylacetyl-coenzyme a
0
acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
5-formamidoimidazole-4-carboxamide ribotide
0
1-(phosphoribosyl)imidazolecarboxamideEscherichia coli metabolite;
mouse metabolite		00low000000
campesterol
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C28-steroid;
phytosterols		mouse metabolite00low000000
gamma-glutamyl phosphate
0
gamma-glutamyl phosphateEscherichia coli metabolite;
mouse metabolite		00low000000
5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione
0
aminouracil;
hydroxypyrimidine		Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		00low000000
sitosterol, (3beta)-isomer
0
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor		00low000000
androstane-3,17-dione, (5alpha)-isomer
0
3-oxo-5alpha-steroid;
androstane-3,17-dione		mouse metabolite00low000000
21-hydroxypregnenolone
0
21-hydroxy steroid;
hydroxypregnenolone;
primary alpha-hydroxy ketone		mouse metabolite00low000000
epietiocholanolone
0
17-oxo steroid;
3beta-hydroxy steroid;
androstanoid		androgen;
animal metabolite;
human blood serum metabolite;
mouse metabolite;
rat metabolite		00low000000
19-hydroxy-4-androstene-3,17-dione
0
17-oxo steroid;
19-hydroxy steroid;
3-oxo steroid;
androstanoid		mouse metabolite00low000000
glyceraldehyde 3-phosphate
0
glyceraldehyde 3-phosphatemouse metabolite00low000000
ribulose 5-phosphate
0
ribulose 5-phosphatemouse metabolite00low000000
xylulose-5-phosphate, (d)-isomer
0
xylulose 5-phosphateEscherichia coli metabolite;
mouse metabolite		00low000000
glycerate 1,3-biphosphate
0
2,3-bisphosphoglyceric acid;
acyl monophosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
arabinose
0
L-arabinoseEscherichia coli metabolite;
mouse metabolite		00low000000
glucosamine
17
D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite		1972201340.5low0123110
raffinose
3
raffinose family oligosaccharide;
trisaccharide		mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1994201318.3low001110
xanthosine 5'-triphosphate
0
purine ribonucleoside 5'-triphosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
galactose
0
D-galactopyranoseepitope;
mouse metabolite		00low000000
galactose
0
D-galactopyranosemouse metabolite00low000000
s-adenosyl-3-methylthiopropylamine
0
adenosines;
sulfonium compound		Escherichia coli metabolite;
human urinary metabolite;
mouse metabolite;
rat metabolite		00low000000
6-phosphonoglucono-delta-lactone
0
aldonolactone phosphateEscherichia coli metabolite;
mouse metabolite		00low000000
inositol 1,4,5-trisphosphate
40
myo-inositol trisphosphatemouse metabolite1989201525.5low02231410
stachyose
0
raffinose family oligosaccharide;
tetrasaccharide		mouse metabolite;
plant metabolite		00low000000
ketodihydrosphingosine
0
2-amino-1-hydroxyoctadecan-3-onemouse metabolite00low000000
androstane-3,17-dione, (5beta)-isomer
0
3-oxo-5beta-steroid;
androstane-3,17-dione		mouse metabolite00low000000
pantothenylcysteine 4'-phosphate
0
L-cysteine derivativeEscherichia coli metabolite;
mouse metabolite		00low000000
dehydroascorbic acid
0
dehydroascorbic acid;
vitamin C		coenzyme;
mouse metabolite		00low000000
beta-sulfopyruvic acid
0
carboxyalkanesulfonic acidmouse metabolite00low000000
2-hydroxypropylphosphonic acid
0
phosphonic acids;
secondary alcohol		mouse metabolite00low000000
inositol-1,4,5,6-tetrakisphosphate
0
myo-inositol tetrakisphosphatemouse metabolite00low000000
maleic acid
0
butenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite		00low000000
n(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole
0
1-ribosylbenzimidazole;
dimethylbenzimidazole;
ribose monophosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
prostaglandin h2
0
olefinic compound;
oxylipin;
prostaglandins H;
secondary alcohol		mouse metabolite00low000000
oleic acid
15
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		1987201526.3low019410
farnesyl pyrophosphate
0
farnesyl diphosphateEscherichia coli metabolite;
mouse metabolite		00low000000
geranyl pyrophosphate
0
polyprenyl diphosphateEscherichia coli metabolite;
mouse metabolite		00low000000
1,5-dihydro-fad
0
flavin adenine dinucleotideEscherichia coli metabolite;
mouse metabolite		00low000000
cocaine
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		00low000000
eicosapentaenoic acid
5
icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2008202311.6low100311
s-hydroxymethylglutathione
0
S-substituted glutathioneEscherichia coli metabolite;
mouse metabolite		00low000000
geranylgeranyl pyrophosphate
0
geranylgeranyl diphosphatemouse metabolite00low000000
cytidine monophosphate n-acetylneuraminic acid
0
CMP-N-acyl-beta-neuraminic acidmouse metabolite00low000000
4-phosphoerythronate
0
4-phosphoerythronic acidEscherichia coli metabolite;
mouse metabolite		00low000000
colfosceril palmitate
0
1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 32:0		mouse metabolite;
surfactant		00low000000
lyso-pc
0
1-O-acyl-sn-glycero-3-phosphocholine;
lysophosphatidylcholine 16:0		mouse metabolite00low000000
riboflavin
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		00low000000
trans-4-coumaric acid
0
4-coumaric acidfood component;
mouse metabolite;
plant metabolite		00low000000
3-hydroxybutyryl-coenzyme a
0
3-hydroxyacyl-CoA;
hydroxybutanoyl-CoA		mouse metabolite00low000000
malonyl coenzyme a
1
malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite		1999199925.0low001000
palmitoyl coenzyme a
15
11,12-saturated fatty acyl-CoA;
3-substituted propionyl-CoA;
long-chain fatty acyl-CoA;
palmitoyl bioconjugate		Escherichia coli metabolite;
mouse metabolite		1978201125.7low036510
dihydrosphingosine 1-phosphate
0
sphingoid 1-phosphatemouse metabolite00low000000
caffeic acid
0
caffeic acidgeroprotector;
mouse metabolite		00low000000
coniferyl alcohol
0
guaiacols;
phenylpropanoid		animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component		00low000000
raphanusamic acid
0
thiazolidinemonocarboxylic acidArabidopsis thaliana metabolite;
mouse metabolite;
xenobiotic metabolite		00low000000
glutaryl-coenzyme a
0
glutaryl-CoAsmouse metabolite00low000000
thromboxane a2
6
epoxy monocarboxylic acid;
thromboxanes A		mouse metabolite1998201516.7low002130
arachidonic acid 5-hydroperoxide
0
5-HPETEmouse metabolite00low000000
arachidonic acid omega-9 hydroperoxide
0
HPETEmouse metabolite00low000000
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid, (s)-(e,z,z,z)-isomer
0
15-HPETEmouse metabolite00low000000
alpha-linolenic acid
1
linolenic acid;
omega-3 fatty acid		micronutrient;
mouse metabolite;
nutraceutical		202220222.0low000001
1-palmitoyl-2-oleoyl-sn-glycerol
0
1,2-diacyl-sn-glycerol;
1-palmitoyl-2-oleoylglycerol		mouse metabolite00low000000
epoprostenol
0
prostaglandins Imouse metabolite00low000000
11,12-dihydroxyeicosatrienoic acid
0
DHETmouse metabolite00low000000
14,15-dihydroxyeicosatrienoic acid
0
DHET;
diol;
secondary allylic alcohol		mouse metabolite00low000000
5,6-epoxy-8,11,14-eicosatrienoic acid
0
EETmouse metabolite00low000000
8,9-epoxyeicosatrienoic acid
0
EETmouse metabolite00low000000
1-palmitoyl-2-oleoylphosphatidylethanolamine, (z & r)-isomer
0
1,2-diacyl-sn-glycero-3-phosphoethanolamine;
phosphatidylethanolamine 34:1 zwitterion;
phosphatidylethanolamine		mouse metabolite00low000000
sphingosine 1-phosphate
0
sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent		00low000000
cholesteryl oleate
0
CE(18:1);
cholesteryl octadec-9-enoate		mouse metabolite00low000000
stearidonic acid
0
long-chain fatty acid;
octadecatetraenoic acid;
omega-3 fatty acid		Daphnia galeata metabolite;
mouse metabolite;
plant metabolite		00low000000
trilinolein
0
1,2-diacyl-3-linoleoylglycerol;
1,3-diacyl-2-linoleoylglycerol;
linoleoyl containing 1,2,3-triacyl-sn-glycerol;
TG(18:2/18:2/18:2);
triglyceride		mouse metabolite00low000000
dimyristoylphosphatidylcholine
6
1,2-diacyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 28:0;
tetradecanoate ester		antigen;
mouse metabolite		1994201322.0low003210
monodehydroascorbate
0
organic radicalmouse metabolite00low000000
oleoyl-coenzyme a
0
octadecenoyl-CoAEscherichia coli metabolite;
mouse metabolite		00low000000
vitamin a2
0
retinoid;
vitamin A		human xenobiotic metabolite;
marine xenobiotic metabolite;
mouse metabolite		00low000000
1,2-dioleoylphosphatidylserine
0
phosphatidylserine(18:1/18:1)mouse metabolite00low000000
5-hydroxy-6,8,11,14,17-eicosapentaenoic acid
0
HEPEmouse metabolite00low000000
1-stearoyl-2-linoleoylphosphatidylcholine
0
phosphatidylcholine 36:2mouse metabolite00low000000
1-stearoyl-2-linoleoyl-sn-glycerol
0
1,2-diacyl-sn-glycerol;
diacylglycerol 36:2		mouse metabolite00low000000
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine
0
phosphatidylcholine 38:6mouse metabolite00low000000
13(S)-HODE
0
HODEantineoplastic agent;
human xenobiotic metabolite;
mouse metabolite		00low000000
1-stearoyl-2-oleoyl-sn-glycerol
0
1,2-diacyl-sn-glycerol;
1-stearoyl-2-oleoylglycerol;
diacylglycerol 36:1		mouse metabolite00low000000
1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine
0
1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 32:1		mouse metabolite00low000000
13-oxo-9,11-octadecadienoic acid
0
13-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite		00low000000
n-stearoylsphingomyelin
0
sphingomyelin 36:1;
sphingomyelin d18:1		mouse metabolite00low000000
cholesteryl arachidonate
0
cholesteryl icosatetraenoateantibacterial agent;
mouse metabolite		00low000000
acryloyl-coenzyme a
0
2-enoyl-CoA;
monounsaturated fatty acyl-CoA		mouse metabolite00low000000
samarium
0
sphingomyelin d18:1/16:0mouse metabolite00low000000
n-palmitoylgalactosylsphingosine
0
HexCer(d18:1/16:0);
N-acyl-beta-D-galactosylsphingosine		mouse metabolite00low000000
s-tetradecanoyl-coenzyme a
0
11,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA		Escherichia coli metabolite;
mouse metabolite		00low000000
prosomatostatin
0
heterodetic cyclic peptide;
peptide hormone		fungal metabolite;
mouse metabolite;
rat metabolite		00low000000
phosphatidylcholines
0
phosphatidylcholine 40:6mouse metabolite00low000000
cyclosporine
0
keto-disaccharidemouse metabolite00low000000
g(m3) ganglioside
15
alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide;
sialodiosylceramide;
sialotriaosylceramide		mouse metabolite1977202125.5low037311
diguanosine tetraphosphate
0
guanosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
2'-deoxyguanosine 5'-phosphate
0
deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
dihydrofolate
0
dihydrofolic acidsEscherichia coli metabolite;
mouse metabolite		00low000000
dihydroneopterin triphosphate
0
dihydropterin;
neopterins;
pterin phosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
2'-deoxyinosine triphosphate
0
deoxyinosine phosphate;
purine 2'-deoxyribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
guanosine diphosphate
2
guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor		1999201218.5low001010
gdp-4-keto-6-deoxymannose
0
GDP-sugarEscherichia coli metabolite;
mouse metabolite		00low000000
guanosine pentaphosphate
0
guanosine 5'-phosphate;
guanosine bisphosphate		Escherichia coli metabolite;
mouse metabolite		00low000000
guanosine monophosphate
0
guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite		00low000000
guanosine triphosphate
18
guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor		1989200527.8low0210600
guanosine tetraphosphate
0
guanosine bisphosphateEscherichia coli metabolite;
mouse metabolite		00low000000
leucovorin
0
formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite		00low000000
5,10-methenyltetrahydrofolate
0
methylenetetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite		00low000000
10-formyltetrahydrofolate
0
formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
gamma-aminobutyric acid
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		2007200717.0low000100
acetamide
1
acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia		2007200717.0low000100
quinacrine
1
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		2007200717.0low000100
catechol
1
catecholsallelochemical;
genotoxin;
plant metabolite		2007200717.0low000100
taxifolin
1
3'-hydroxyflavanones;
4'-hydroxyflavanones;
dihydroflavonols;
pentahydroxyflavanone;
secondary alpha-hydroxy ketone		2007200717.0low000100
phosphonoacetic acid
1
monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor		2007200717.0low000100
3,4-dihydroxyphenylacetic acid
1
catechols;
dihydroxyphenylacetic acid		human metabolite2007200717.0low000100
aminocaproic acid
1
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite		2007200717.0low000100
diacetyl
1
alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
hydroquinone
1
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		2007200717.0low000100
melatonin
1
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		2007200717.0low000100
n-acetylserotonin
1
acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist		2007200717.0low000100
pyrazinamide
1
monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug		2007200717.0low000100
quinolinic acid
1
pyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist		2007200717.0low000100
taurine
1
amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
2-amino-5-phosphonovalerate
1
non-proteinogenic alpha-amino acidNMDA receptor antagonist2007200717.0low000100
alpha-methyl-4-carboxyphenylglycine
1
2007200717.0low000100
3-(2-carboxypiperazin-4-yl)propyl-1-phosphonic acid
1
2007200717.0low000100
1-hydroxy-3-amino-2-pyrrolidone
1
2007200717.0low000100
ibotenic acid
1
non-proteinogenic alpha-amino acidneurotoxin2007200717.0low000100
n(8)-bromoacetyl-n(1)-3'-(4-indolyloxy)-2'-hydroxypropyl-1,8-diamino-4-menthane
1
2007200717.0medium000100
sk&f-38393
1
benzazepine;
catechols;
secondary amino compound		2007200717.0low000100
vanilmandelic acid
1
2-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite2007200717.0low000100
1,10-diaminodecane
1
2007200717.0low000100
1,3-diethyl-8-phenylxanthine
1
2007200717.0low000100
1,3-dipropyl-8-cyclopentylxanthine
1
oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		2007200717.0low000100
1,3-dipropyl-8-(4-sulfophenyl)xanthine
1
2007200717.0low000100
1,5-dihydroxyisoquinoline
1
isoquinolinolEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2007200717.0low000100
pk 11195
1
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent2007200717.0low000100
1-(2-trifluoromethylphenyl)imidazole
1
imidazoles2007200717.0low000100
1-aminobenzotriazole
1
2007200717.0low000100
1-methylimidazole
1
imidazoles2007200717.0low000100
edelfosine
1
glycerophosphocholine2007200717.0low000100
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one
1
oxadiazoloquinoxalineEC 4.6.1.2 (guanylate cyclase) inhibitor2007200717.0low000100
2,2'-dipyridyl
1
bipyridinechelator;
ferroptosis inhibitor		2007200717.0low000100
2-hydroxysaclofen
1
organochlorine compound2007200717.0low000100
3,4-dichloroisocoumarin
1
isocoumarins;
organochlorine compound		geroprotector;
serine protease inhibitor		2007200717.0low000100
phaclofen
1
organophosphate oxoanion;
zwitterion		2007200717.0low000100
3-aminobenzamide
1
benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2007200717.0low000100
3-bromo-7-nitroindazole
1
2007200717.0low000100
enprofylline
1
oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug		2007200717.0low000100
3-nitropropionic acid
1
C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin		2007200717.0low000100
4-amino-1,8-naphthalimide
1
benzoisoquinoline;
dicarboximide		2007200717.0low000100
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		2007200717.0low000100
homovanillic acid
1
guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite		2007200717.0low000100
4-hydroxybenzoic acid hydrazide
1
carbohydrazide;
phenols		2007200717.0low000100
4-phenyl-3-furoxancarbonitrile
1
1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile		geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2007200717.0low000100
5,5-dimethyl-1-pyrroline-1-oxide
1
1-pyrroline nitronesneuroprotective agent;
spin trapping reagent		2007200717.0low000100
phenytoin
1
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		2007200717.0low000100
5,7-dichlorokynurenic acid
1
quinolines2007200717.0low000100
5-(n,n-hexamethylene)amiloride
1
aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines		antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker		2007200717.0low000100
ethylisopropylamiloride
1
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker		2007200717.0low000100
5-fluoroindole-2-carboxylic acid
1
indolyl carboxylic acid2007200717.0low000100
hydroxyindoleacetic acid
1
indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite		2007200717.0low000100
phenanthridone
1
lactam;
phenanthridines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
immunosuppressive agent;
mutagen		2007200717.0low000100
6-chloromelatonin
1
acetamides2007200717.0low000100
6-hydroxymelatonin
1
acetamides;
tryptamines		metabolite;
mouse metabolite		2007200717.0low000100
6-methoxytryptoline
1
2007200717.0low000100
6-nitroso-1,2-benzopyrone
1
2007200717.0low000100
7-chlorokynurenic acid
1
organochlorine compound;
quinolinemonocarboxylic acid		neuroprotective agent;
NMDA receptor antagonist		2007200717.0low000100
7-nitroindazole
1
2007200717.0low000100
8-(4-sulfophenyl)theophylline
1
2007200717.0low000100
8-cyclopentyl-1,3-dimethylxanthine
1
oxopurine2007200717.0low000100
8-phenyltheophylline
1
2007200717.0low000100
acetazolamide
1
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		2007200717.0low000100
acetohexamide
1
acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
ag 127
1
nitrophenol2007200717.0low000100
rtki cpd
1
aromatic ether;
monochlorobenzenes;
quinazolines		antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector		2007200717.0low000100
tyrphostin a23
1
catechols2007200717.0low000100
tyrphostin 25
1
benzenetriol2007200717.0low000100
tyrphostin a1
1
methoxybenzenesgeroprotector2007200717.0low000100
1-aminoindan-1,5-dicarboxylic acid
1
2007200717.0low000100
albuterol
1
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2007200717.0low000100
alpha-methyltyrosine methyl ester
1
2007200717.0low000100
altretamine
1
triamino-1,3,5-triazine2007200717.0low000100
amfonelic acid
1
2007200717.0low000100
amifostine anhydrous
1
diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent		2007200717.0low000100
theophylline
1
dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent		2007200717.0low000100
amoxapine
1
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor		2007200717.0low000100
aniracetam
1
N-acylpyrrolidine;
pyrrolidin-2-ones		2007200717.0low000100
2-amino-4-phosphonobutyric acid
1
2007200717.0low000100
aspirin
1
benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent		2007200717.0low000100
atenolol
1
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		2007200717.0low000100
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate
1
alpha-amino acid2007200717.0low000100
aurintricarboxylic acid
1
monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid		fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist		2007200717.0low000100
azathioprine
1
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		2007200717.0low000100
azelaic acid
1
alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite		2007200717.0low000100
baclofen
1
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant		2007200717.0low000100
bay-k-8644
1
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		2007200717.0low000100
benzamide
1
benzamides2007200717.0low000100
bepridil
1
pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
bml 190
1
N-acylindole2007200717.0low000100
brimonidine
1
imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent		2007200717.0low000100
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2007200717.0low000100
caffeine
1
purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic		2007200717.0low000100
carbamazepine
1
dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic		2007200717.0low000100
carbetapentane
1
benzenes2007200717.0low000100
carisoprodol
1
carbamate estermuscle relaxant2007200717.0low000100
carmustine
1
N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent		2007200717.0low000100
cgs 12066
1
N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline		serotonergic agonist2007200717.0low000100
cgs 15943
1
aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline		adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant		2007200717.0low000100
chlorambucil
1
aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2007200717.0low000100
chlormezanone
1
1,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant		2007200717.0low000100
chlorothiazide
1
benzothiadiazineantihypertensive agent;
diuretic		2007200717.0low000100
chlorpropamide
1
monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
chlorzoxazone
1
1,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative		2007200717.0low000100
cilostamide
1
quinolines2007200717.0low000100
cilostazol
1
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		2007200717.0low000100
cimetidine
1
aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2007200717.0low000100
cinoxacin
1
cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent		2007200717.0low000100
ciprofibrate
1
cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug2007200717.0low000100
clofibrate
1
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		2007200717.0low000100
clotrimazole
1
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic		2007200717.0low000100
cx546
1
2007200717.0low000100
cyclothiazide
1
benzothiadiazineantihypertensive agent;
diuretic		2007200717.0low000100
dephostatin
1
2007200717.0low000100
nonivamide
1
capsaicinoid;
phenols		lachrymator2007200717.0low000100
r 59022
1
diarylmethane2007200717.0low000100
diazoxide
1
benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent		2007200717.0low000100
pentetic acid
1
pentacarboxylic acidcopper chelator2007200717.0low000100
diphenyleneiodonium
1
organic cation2007200717.0low000100
dipyridamole
1
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2007200717.0low000100
disopyramide
1
monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug2007200717.0low000100
disulfiram
1
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		2007200717.0low000100
2-amino-7-phosphonoheptanoic acid
1
2007200717.0low000100
thiorphan
1
N-acyl-amino acid2007200717.0low000100
2,3-dimethoxy-1,4-naphthoquinone
1
1,4-naphthoquinones2007200717.0low000100
domperidone
1
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		2007200717.0low000100
droperidol
1
aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic		2007200717.0low000100
ebselen
1
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		2007200717.0low000100
ellipticine
1
indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite		2007200717.0low000100
emodin
1
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		2007200717.0low000100
ethosuximide
1
dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker		2007200717.0low000100
etodolac
1
monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
felbamate
1
carbamate esteranticonvulsant;
neuroprotective agent		2007200717.0low000100
felodipine
1
dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
fenofibrate
1
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		2007200717.0low000100
fluconazole
1
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic		2002200222.0low000100
flumazenil
1
ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist		2007200717.0low000100
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2007200717.0low000100
fluspirilene
1
diarylmethane2007200717.0low000100
flutamide
1
(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent		2007200717.0low000100
formoterol fumarate
1
formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound		2007200717.0low000100
fpl 64176
1
carboxylic ester;
pyrroles		calcium channel agonist2007200717.0low000100
furafylline
1
oxopurine2007200717.0low000100
furosemide
1
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2007200717.0low000100
fusaric acid
1
aromatic carboxylic acid;
pyridines		2007200717.0low000100
gabapentin
1
gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic		2007200717.0low000100
4-amino-5-hexynoic acid
1
2007200717.0low000100
glipizide
1
aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue		2007200717.0low000100
glyburide
1
monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent		2007200717.0low000100
1-(5-isoquinolinesulfonyl)piperazine
1
isoquinolines2007200717.0low000100
haloperidol
1
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		2007200717.0low000100
2,2',3,3',4,4'-hexahydroxy-1,1'-biphenyl-6,6'-dimethanol dimethyl ether
1
tannin1994199430.0medium001000
hemicholinium 3
1
morpholines2007200717.0low000100
4-fluorohexahydrosiladifenidol
1
2007200717.0low000100
hydrochlorothiazide
1
benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2007200717.0low000100
hydroxyurea
1
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		2007200717.0low000100
ibudilast
1
pyrazolopyridine2007200717.0low000100
ibuprofen
1
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		2007200717.0low000100
ic 261
1
indoles2007200717.0medium000100
ifenprodil
1
piperidines2007200717.0low000100
indirubin-3'-monoxime
1
2007200717.0low000100
indomethacin
1
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		2007200717.0low000100
iodoacetamide
1
2007200717.0low000100
1-methyl-3-isobutylxanthine
1
3-isobutyl-1-methylxanthine2007200717.0low000100
4-piperidinecarboxylic acid
1
2007200717.0low000100
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline
1
2007200717.0low000100
jl 18
1
2007200717.0low000100
nsc 664704
1
indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector		2007200717.0low000100
ketoconazole
1
dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine		2007200717.0low000100
ketoprofen
1
benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic		2007200717.0low000100
kynurenic acid
1
monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
2-amino-3-phosphonopropionic acid
1
alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist		2007200717.0low000100
lamotrigine
1
1,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic		2007200717.0low000100
lansoprazole
1
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		2007200717.0low000100
beta-lapachone
1
benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite		2007200717.0low000100
lauric acid
1
medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
antibacterial agent;
plant metabolite		2008200816.0low000100
leflunomide
1
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor		2007200717.0low000100
linopirdine
1
indoles2007200717.0low000100
loratadine
1
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist		2007200717.0low000100
loxoprofen
1
cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug		2007200717.0low000100
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
1
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		2007200717.0low000100
meclofenamate sodium anhydrous
1
organic sodium salt2007200717.0low000100
methiothepin
1
aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound		antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist		2007200717.0low000100
methoctramine
1
aromatic ether;
tetramine		muscarinic antagonist2007200717.0low000100
nocodazole
1
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		2007200717.0low000100
3-Hydroxy-alpha-methyl-DL-tyrosine
1
benzenes;
monocarboxylic acid		2007200717.0low000100
metolazone
1
organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor		2007200717.0low000100
milrinone
1
bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent		2007200717.0low000100
minoxidil
1
dialkylarylamine;
tertiary amino compound		2007200717.0low000100
mitotane
1
diarylmethane2007200717.0low000100
mitoxantrone
1
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		2007200717.0low000100
ml 7
1
N-sulfonyldiazepane;
organoiodine compound		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor2007200717.0low000100
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide
1
naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide		2007200717.0low000100
n-bromoacetamide
1
2007200717.0low000100
ethylmaleimide
1
maleimidesanticoronaviral 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		2007200717.0low000100
fg 7142
1
beta-carbolines2007200717.0low000100
fenamic acid
1
aminobenzoic acid;
secondary amino compound		membrane transport modulator2007200717.0low000100
n 0840
1
2007200717.0low000100
nialamide
1
organonitrogen compound;
organooxygen compound		2007200717.0low000100
niclosamide
1
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor		2007200717.0low000100
nifedipine
1
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		2007200717.0low000100
niflumic acid
1
aromatic carboxylic acid;
pyridines		2007200717.0low000100
nilutamide
1
(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent		2007200717.0low000100
nimesulide
1
aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug		2007200717.0low000100
nimodipine
1
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent		2007200717.0low000100
nipecotic acid
1
beta-amino acid;
piperidinemonocarboxylic acid		2007200717.0low000100
nitrendipine
1
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		2007200717.0low000100
masoprocol
1
catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite		2007200717.0low000100
5-nitro-2-(3-phenylpropylamino)benzoic acid
1
nitrobenzoic acid2007200717.0low000100
ns 2028
1
2007200717.0low000100
ns 1619
1
(trifluoromethyl)benzenes;
benzimidazoles;
phenols		potassium channel opener2007200717.0low000100
o(6)-benzylguanine
1
2007200717.0low000100
ofloxacin
1
3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline		2007200717.0low000100
olomoucine
1
2,6-diaminopurines;
ethanolamines		EC 2.7.11.22 (cyclin-dependent kinase) inhibitor2007200717.0low000100
oxaprozin
1
1,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
oxatomide
1
benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist		2007200717.0low000100
oxiracetam
1
organonitrogen compound;
organooxygen compound		2007200717.0low000100
oxolinic acid
1
aromatic carboxylic acid;
organic heterotricyclic compound;
oxacycle;
quinolinemonocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antifungal agent;
antiinfective agent;
antimicrobial agent;
enzyme inhibitor		2007200717.0low000100
quinone
1
1,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite		2007200717.0low000100
fenclonine
1
phenylalanine derivative2007200717.0low000100
palmidrol
1
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent		2007200717.0low000100
1,7-dimethylxanthine
1
dimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite		2007200717.0low000100
pd 98059
1
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2007200717.0low000100
pentamidine
1
aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic		2007200717.0low000100
pentoxifylline
1
oxopurine2007200717.0low000100
perphenazine
1
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug		2007200717.0low000100
phenyl biguanide
1
guanidinescentral nervous system drug2007200717.0low000100
phenylbutazone
1
pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		2007200717.0low000100
phloretin
1
dihydrochalconesantineoplastic agent;
plant metabolite		2007200717.0low000100
picotamide
1
benzamides2007200717.0low000100
pinacidil
1
pyridines2007200717.0low000100
pindolol
1
indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent		2007200717.0low000100
piperidine-4-sulfonic acid
1
2007200717.0low000100
piracetam
1
organonitrogen compound;
organooxygen compound		2007200717.0low000100
pirenperone
1
aromatic ketone2007200717.0low000100
praziquantel
1
isoquinolines2007200717.0low000100
primidone
1
pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic		2007200717.0low000100
proglumide
1
benzamides;
dicarboxylic acid monoamide;
glutamine derivative;
racemate		anti-ulcer drug;
cholecystokinin antagonist;
cholinergic antagonist;
delta-opioid receptor agonist;
drug metabolite;
gastrointestinal drug;
opioid analgesic;
xenobiotic metabolite		2007200717.0low000100
propentofylline
1
oxopurine2007200717.0low000100
propofol
1
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		2007200717.0low000100
pf 5901
1
quinolines2007200717.0low000100
riluzole
1
benzothiazoles2007200717.0low000100
risperidone
1
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		2007200717.0low000100
ritanserin
1
organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist		2007200717.0low000100
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone
1
methoxybenzenes2007200717.0low000100
rolipram
1
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		2007200717.0low000100
salmeterol xinafoate
1
ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound		2007200717.0low000100
sb 202190
1
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2007200717.0low000100
sobuzoxane
1
organic molecular entity2007200717.0low000100
spiroxatrine
1
imidazolidines2007200717.0low000100
sq 22536
1
nucleoside analogue;
oxolanes		EC 4.6.1.1 (adenylate cyclase) inhibitor2007200717.0low000100
sulfaphenazole
1
primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor		2007200717.0low000100
sulpiride
1
benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2007200717.0low000100
t0156
1
naphthyridine derivative2007200717.0low000100
1,4-bis(2-(3,5-dichloropyridyloxy))benzene
1
2007200717.0low000100
terfenadine
1
diarylmethane2007200717.0low000100
tetraisopropylpyrophosphamide
1
phosphoramide2007200717.0low000100
thalidomide
1
phthalimides;
piperidones		2007200717.0low000100
theobromine
1
dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent		2007200717.0low000100
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate
1
trihydroxybenzoic acid2007200717.0low000100
tolazamide
1
N-sulfonylureahypoglycemic agent;
potassium channel blocker		2007200717.0low000100
tolbutamide
1
N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker		2007200717.0low000100
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid
1
2007200717.0low000100
ici 136,753
1
pyrazolopyridine2007200717.0low000100
triamterene
1
pteridinesdiuretic;
sodium channel blocker		2007200717.0low000100
trimethoprim
1
aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic		2007200717.0low000100
tropicamide
1
acetamides2007200717.0low000100
tyrphostin a9
1
alkylbenzenegeroprotector2007200717.0low000100
vigabatrin
1
gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor		2007200717.0low000100
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine
1
2007200717.0low000100
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
1
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2007200717.0low000100
zardaverine
1
organofluorine compound;
pyridazinone		anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug		2007200717.0low000100
cortisone acetate
1
corticosteroid hormone2007200717.0low000100
corticosterone
1
11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007200717.0low000100
reserpine
1
alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic		2007200717.0low000100
procaine hydrochloride
1
organic molecular entity2007200717.0low000100
isoproterenol hydrochloride
1
catechols2007200717.0low000100
histamine dihydrochloride
1
2007200717.0low000100
carbachol
1
ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic		2007200717.0low000100
spironolactone
1
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		2007200717.0low000100
estrone
1
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		2007200717.0low000100
androsterone
1
17-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone		2007200717.0low000100
promazine hydrochloride
1
hydrochloride2007200717.0low000100
pilocarpine hydrochloride
1
hydrochloride2007200717.0low000100
dimethylphenylpiperazinium iodide
1
N-arylpiperazine;
organic iodide salt;
piperazinium salt;
quaternary ammonium salt		nicotinic acetylcholine receptor agonist2007200717.0low000100
pentylenetetrazole
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound		2007200717.0low000100
racepinephrine hydrochloride
1
2007200717.0low000100
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride
1
2007200717.0low000100
hexamethonium bromide
1
2007200717.0low000100
cystamine dihydrochloride
1
2007200717.0medium000100
cantharidin
1
cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide		2007200717.0low000100
tetraethylammonium chloride
1
organic chloride salt;
quaternary ammonium salt		potassium channel blocker2007200717.0low000100
aspartic acid
1
aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter		2007200717.0low000100
glutamine
1
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		2007200717.0low000100
cetrimonium bromide
1
organic bromide salt;
quaternary ammonium salt		detergent;
surfactant		2002200222.0low000100
vincristine
1
acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2007200717.0low000100
physostigmine
1
carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic		2007200717.0low000100
apomorphine
1
aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug		2007200717.0low000100
promethazine hydrochloride
1
hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative		2007200717.0low000100
bromodeoxyuridine
1
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		2007200717.0low000100
levodopa
1
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		2007200717.0low000100
methoxamine hydrochloride
1
dimethoxybenzene2007200717.0low000100
papaverine hydrochloride
1
2007200717.0low000100
bretylium tosylate
1
organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent		2007200717.0low000100
berlition
1
dithiolanes;
heterocyclic fatty acid;
lipoic acid;
thia fatty acid		cofactor;
nutraceutical;
prosthetic group		2007200717.0low000100
methacholine chloride
1
quaternary ammonium salt2007200717.0low000100
androstenedione
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		2007200717.0low000100
colchicine
1
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2007200717.0low000100
yohimbine hydrochloride
1
2007200717.0low000100
gallamine triethiodide
1
2007200717.0low000100
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		2007200717.0low000100
egtazic acid
1
diether;
tertiary amino compound;
tetracarboxylic acid		chelator2007200717.0low000100
cycloserine
1
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist		2007200717.0low000100
17-alpha-hydroxyprogesterone
1
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		2007200717.0low000100
quinacrine monohydrochloride
1
2007200717.0medium000100
chlorpromazine hydrochloride
1
hydrochloride;
phenothiazines		anticoronaviral agent;
phenothiazine antipsychotic drug		2007200717.0low000100
cytarabine hydrochloride
1
2007200717.0low000100
tryptophan
1
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		2007200717.0low000100
lidocaine hydrochloride
1
hydrochlorideanti-arrhythmia drug;
local anaesthetic		2007200717.0low000100
arginine
1
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2007200717.0low000100
rotenone
1
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		2007200717.0low000100
synephrine
1
ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite		2007200717.0low000100
pyridostigmine bromide
1
pyridinium salt2007200717.0low000100
imipramine hydrochloride
1
hydrochlorideantidepressant2007200717.0low000100
neostigmine bromide
1
bromide salt2007200717.0low000100
edrophonium chloride
1
chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor		2007200717.0low000100
framycetin
1
aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite		2008200816.0low000100
suramin sodium
1
organic sodium saltangiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug		2007200717.0low000100
pyrazolanthrone
1
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		2007200717.0low000100
methapyrilene hydrochloride
1
hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative		2007200717.0low000100
tetrracaine hydrochloride
1
benzoate ester2007200717.0low000100
chelidamic acid
1
2007200717.0low000100
2-chloroadenosine
1
purine nucleoside2007200717.0low000100
diphenhydramine hydrochloride
1
hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative		2007200717.0low000100
cysteamine hydrochloride
1
2007200717.0low000100
propantheline bromide
1
xanthenes2007200717.0low000100
hydralazine hydrochloride
1
hydrochlorideantihypertensive agent;
vasodilator agent		2007200717.0low000100
ethamivan
1
methoxybenzenes;
phenols		2007200717.0low000100
pargyline hydrochloride
1
2007200717.0low000100
aminophylline
1
mixturebronchodilator agent;
cardiotonic drug		2007200717.0low000100
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent2007200717.0low000100
orphenadrine hydrochloride
1
hydrochlorideantiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic		2007200717.0low000100
betamethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent		2007200717.0low000100
benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(n,n-dimethyl-n-2-propenyl-), dibromide
1
2007200717.0low000100
cyproterone acetate
1
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin		2007200717.0low000100
bicuculline
1
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin		2007200717.0low000100
kainic acid
1
dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist		2007200717.0low000100
podophyllotoxin
1
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2007200717.0low000100
tetrahydrozoline hydrochloride
1
hydrochloridenasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		2007200717.0low000100
dequalinium chloride
1
organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor		2007200717.0low000100
decamethonium dibromide
1
2007200717.0low000100
amitriptyline hydrochloride
1
organic tricyclic compound2007200717.0low000100
naphazoline hydrochloride
1
organic molecular entity2007200717.0low000100
doxylamine succinate
1
organic molecular entity2007200717.0low000100
carbamylhydrazine monohydrochloride
1
organic molecular entity2007200717.0medium000100
formestane
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2007200717.0low000100
debrisoquin sulfate
1
organic sulfate salt2007200717.0low000100
betaine hydrochloride
1
2007200717.0low000100
bethanechol chloride
1
carbamate ester;
chloride salt;
quaternary ammonium salt		muscarinic agonist2007200717.0low000100
acetylcysteine
1
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		2007200717.0low000100
Mecamylamine hydrochloride
1
monoterpenoid2007200717.0medium000100
vinblastine
1
2007200717.0low000100
cyproheptadine hydrochloride (anhydrous)
1
hydrochloride2007200717.0low000100
5 alpha-androstane-3 alpha,17 beta-diol
1
androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite		2007200717.0low000100
pimozide
1
benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist		2007200717.0low000100
1,6-diaminohexane
1
alkane-alpha,omega-diaminehuman xenobiotic metabolite2002200222.0low000100
azetidyl-2-carboxylic acid
1
azetidine-2-carboxylic acid2007200717.0low000100
phenethyl isothiocyanate
1
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite		2000200024.0low001000
muscarine
1
2007200717.0medium000100
antazoline hydrochloride
1
2007200717.0low000100
1,12-dodecamethylenediamine
1
alkane-alpha,omega-diamine2002200222.0low000100
doxifluridine
1
organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug		2007200717.0low000100
meclofenoxate hydrochloride
1
2007200717.0low000100
clonidine hydrochloride
1
dichlorobenzene2007200717.0low000100
beclomethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug		2007200717.0low000100
buthionine sulfoximine
1
diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		2007200717.0low000100
mexiletine hydrochloride
1
hydrochlorideanti-arrhythmia drug2007200717.0low000100
cyclophosphamide
1
hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent		2007200717.0low000100
suxamethonium chloride
1
chloride saltmuscle relaxant2007200717.0low000100
cyclobenzaprine hydrochloride
1
hydrochlorideantidepressant;
muscle relaxant		2007200717.0low000100
n-methylaspartate
1
amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent2007200717.0low000100
3-deazaadenosine
1
2007200717.0low000100
metoclopramide hydrochloride
1
2007200717.0low000100
isoetharine mesylate
1
2007200717.0low000100
zalcitabine
1
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2007200717.0low000100
propionylpromazine hydrochloride
1
2007200717.0low000100
camptothecin
1
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		2007200717.0low000100
nsc-145,668
1
hydrochlorideantimetabolite;
antineoplastic agent		2007200717.0medium000100
clodronic acid
1
1,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent		2007200717.0low000100
benserazide hydrochloride
1
hydrochlorideantiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2007200717.0low000100
pancuronium bromide
1
bromide saltcholinergic antagonist;
muscle relaxant;
nicotinic antagonist		2007200717.0medium000100
tetradecanoylphorbol acetate
1
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		2007200717.0low000100
danazol
1
17beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector		2007200717.0low000100
metergoline
1
carbamate ester;
ergoline alkaloid		dopamine agonist;
geroprotector;
serotonergic antagonist		2007200717.0low000100
lisuride
1
monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist		2007200717.0low000100
disopyramide phosphate
1
organoammonium phosphate2007200717.0low000100
bromocriptine
1
indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist		2007200717.0low000100
ergocristine
1
ergot alkaloid2007200717.0low000100
triamcinolone
1
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		2007200717.0low000100
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2007200717.0low000100
paclitaxel
1
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2007200717.0low000100
buspirone hydrochloride
1
hydrochlorideanxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist		2007200717.0low000100
etoposide
2
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		2007200717.0low000200
propafenone hydrochloride
1
hydrochlorideanti-arrhythmia drug2007200717.0low000100
etazolate hydrochloride
1
2007200717.0low000100
butaclamol
1
amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist2007200717.0low000100
ribavirin
1
1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor		2007200717.0low000100
carbidopa
1
catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor		2007200717.0low000100
cephradine
1
beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug2007200717.0low000100
methyldopa
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent		2007200717.0low000100
lonidamine
1
dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector		2007200717.0low000100
dexibuprofen
1
ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
quisqualic acid
1
non-proteinogenic alpha-amino acid2007200717.0low000100
pirfenidone
1
pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
flecainide acetate
1
acetate saltanti-arrhythmia drug2007200717.0low000100
nicardipine hydrochloride
1
dihydropyridinegeroprotector2007200717.0low000100
idarubicin
1
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative		2007200717.0low000100
captopril
1
alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor		2007200717.0low000100
staurosporine
1
indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector		1991199133.0low001000
terazosin hydrochloride anhydrous
1
2007200717.0low000100
pergolide mesylate
1
methanesulfonate saltantiparkinson drug;
dopamine agonist;
geroprotector		2007200717.0low000100
ranitidine hydrochloride
1
2007200717.0medium000100
colforsin
1
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		2007200717.0low000100
cefaclor anhydrous
1
cephalosporinantibacterial drug;
drug allergen		2007200717.0low000100
alo 2145
1
hydrochloridealpha-adrenergic agonist;
antiglaucoma drug		2007200717.0medium000100
enoximone
1
aromatic ketone2007200717.0low000100
atomoxetine
1
aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic		2007200717.0low000100
raloxifene hydrochloride
1
hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		2007200717.0low000100
mifepristone
1
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		2007200717.0low000100
quinpirole hydrochloride
1
2007200717.0low000100
imazodan
1
2007200717.0low000100
mibefradil dihydrochloride
1
2007200717.0low000100
aptiganel hydrochloride
1
2007200717.0low000100
adenosine
1
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		2007200717.0low000100
phenelzine sulfate
1
organic molecular entity2007200717.0low000100
fluoxetine hydrochloride
1
hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine		2007200717.0low000100
propranolol hydrochloride
1
hydrochloride2007200717.0low000100
bupropion hydrochloride
1
aromatic ketone2007200717.0low000100
diltiazem hydrochloride
1
hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent		2007200717.0low000100
trazodone hydrochloride
1
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		2007200717.0low000100
verapamil hydrochloride
1
2007200717.0low000100
doxazosin mesylate
1
methanesulfonate saltgeroprotector2007200717.0low000100
terfenadine
1
diarylmethane2007200717.0low000100
amantadine hydrochloride
1
hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist		2007200717.0low000100
mevastatin
1
2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite		2007200717.0low000100
chloroquine diphosphate
1
2007200717.0low000100
dobutamine hydrochloride
1
hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent		2007200717.0low000100
desipramine hydrochloride
1
hydrochloridedrug allergen2007200717.0low000100
dopamine hydrochloride
1
catecholamine2007200717.0low000100
proadifen hydrochloride
1
2007200717.0low000100
4-nitrobenzylthioinosine
1
purine nucleoside2007200717.0low000100
metrifudil
1
2007200717.0low000100
rutecarpine
1
beta-carbolines2007200717.0low000100
trihexyphenidyl hydrochloride
1
aralkylamine2007200717.0low000100
thioridazine hydrochloride
1
hydrochloridefirst generation antipsychotic;
geroprotector		2007200717.0low000100
procainamide hydrochloride
1
hydrochlorideanti-arrhythmia drug2007200717.0low000100
siquil
1
hydrochlorideanticoronaviral agent2007200717.0low000100
sotalol hydrochloride
1
hydrochlorideanti-arrhythmia drug;
beta-adrenergic antagonist		2007200717.0low000100
oxymetazoline hydrochloride
1
hydrochloridealpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent		2007200717.0low000100
alprenolol hydrochloride
1
hydrochloride2007200717.0low000100
2-methoxyestradiol
1
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		2007200717.0low000100
fluphenazine hydrochloride
1
phenothiazinesanticoronaviral agent2007200717.0low000100
tryptamine monohydrochloride
1
2007200717.0medium000100
clomipramine hydrochloride
1
hydrochlorideanticoronaviral agent;
antidepressant;
serotonergic antagonist;
serotonergic drug		2007200717.0low000100
amiloride hydrochloride
1
hydratediuretic;
sodium channel blocker		2007200717.0low000100
prazosin hydrochloride
1
hydrochloride2007200717.0low000100
mianserin hydrochloride
1
hydrochloridegeroprotector2007200717.0low000100
lomefloxacin hydrochloride
1
hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent		2007200717.0low000100
fenspiride hydrochloride
1
2007200717.0low000100
nilverm
1
organic molecular entity2007200717.0low000100
sanguinarine chloride
1
2007200717.0low000100
ropinirole hydrochloride
1
indoles2007200717.0medium000100
plasmenylserine
1
O-phosphoserineEC 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		2007200717.0low000100
5-aminovaleric acid hydrochloride
1
2007200717.0low000100
n-acetyltryptamine
1
acetamides;
indoles		2007200717.0low000100
D-serine
1
D-alpha-amino acid;
serine zwitterion;
serine		Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist		2007200717.0low000100
dihydroergotamine mesylate
1
methanesulfonate saltnon-narcotic analgesic;
serotonergic agonist;
vasoconstrictor agent		2007200717.0low000100
ranolazine hydrochloride
1
2007200717.0medium000100
loxapine succinate
1
succinate saltgeroprotector2007200717.0low000100
guanfacine hydrochloride
1
acetamidesgeroprotector2007200717.0low000100
pirenzepine dihydrochloride
1
hydrochloride2007200717.0medium000100
labetalol hydrochloride
1
salicylamides2007200717.0low000100
acecainide hydrochloride
1
2007200717.0low000100
loperamide hydrochloride
1
hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		2007200717.0low000100
maprotiline hydrochloride
1
anthracenes2007200717.0low000100
protoporphyrin ix, disodium salt
1
2007200717.0low000100
siguazodan
1
pyridazinone2007200717.0low000100
3-octadecanamido-2-ethoxypropylphosphocholine
1
2007200717.0low000100
chelerythrine chloride
1
2007200717.0low000100
tosyllysine chloromethyl ketone
1
2007200717.0low000100
5-(n-methyl-n-isobutyl)amiloride
1
2007200717.0low000100
1-(5-isoquinolinesulfonyl)-2-methylpiperazine dihydrochloride
1
hydrochlorideEC 2.7.11.13 (protein kinase C) inhibitor2007200717.0medium000100
amperozide hydrochloride
1
hydrochlorideanxiolytic drug;
dopamine uptake inhibitor;
geroprotector;
second generation antipsychotic;
serotonergic antagonist		2007200717.0low000100
pyrrolidine dithiocarbamic acid
1
2007200717.0medium000100
agroclavine
1
ergot alkaloid2007200717.0low000100
corilagin
1
ellagitannin;
gallate ester		antihypertensive agent;
antioxidant;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
non-steroidal anti-inflammatory drug		1994199430.0low001000
s-methylisothiourea sulfate
1
2007200717.0medium000100
p-Aminobenzamidine dihydrochloride
1
organic molecular entity2007200717.0medium000100
benzamidine hydrochloride
1
2007200717.0medium000100
ketorolac tromethamine
1
organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		2007200717.0low000100
methionine sulfoximine
1
L-alpha-amino acid zwitterion;
L-methionine derivative;
methionine sulfoximine;
non-proteinogenic L-alpha-amino acid		EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
geroprotector		2007200717.0low000100
tretazicar
1
2007200717.0low000100
carbetapentane citrate
1
carbonyl compound2007200717.0low000100
phentolamine mesylate
1
2007200717.0low000100
mephentermine
7
2-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite		1998201618.7high002410
oxybutynin hydrochloride
1
hydrochloride2007200717.0low000100
nimustine
1
hydrochlorideantineoplastic agent2007200717.0medium000100
cordium
1
hydrate;
hydrochloride		2007200717.0medium000100
L-2-aminoadipic acid
1
2-aminoadipic acidEscherichia coli metabolite;
human metabolite		2007200717.0low000100
prilocaine hydrochloride
1
hydrochloridelocal anaesthetic2007200717.0low000100
mor-14
1
hydroxypiperidine;
piperidine alkaloid;
tertiary amino compound		anti-HIV agent;
cardioprotective agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite		2007200717.0low000100
brexanolone
1
3-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative		2007200717.0low000100
phenylisopropyladenosine
1
aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent		2007200717.0low000100
hexamethonium chloride
1
2007200717.0low000100
6-(4-nitrobenzylthio)guanosine
1
2007200717.0low000100
3-aminopropylphosphonic acid
1
phosphonic acids;
primary amino compound;
zwitterion		GABAB receptor agonist2007200717.0low000100
5'-n-methylcarboxamideadenosine
1
2007200717.0low000100
3,7-dimethyl-1-propargylxanthine
1
2007200717.0low000100
zpck
1
2007200717.0low000100
n(6)-phenyladenosine
1
purine nucleoside2007200717.0low000100
tetrahydrodeoxycorticosterone
1
21-hydroxy steroid2007200717.0low000100
n-methyladenosine
1
methyladenosine2007200717.0low000100
mizoribine
1
imidazolesanticoronaviral agent2007200717.0low000100
1-amino-1,3-dicarboxycyclopentane
1
2007200717.0low000100
u 73122
1
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor2007200717.0low000100
alphaxalone
1
corticosteroid hormone2007200717.0low000100
s-nitrosoglutathione
1
glutathione derivative;
nitrosothio compound		bronchodilator agent;
nitric oxide donor;
platelet aggregation inhibitor;
signalling molecule		2007200717.0low000100
cp-55,940
1
2007200717.0low000100
vanoxerine
1
hydrochloridedopamine uptake inhibitor2007200717.0low000100
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
1
beta-carbolines2007200717.0low000100
u 69593
1
monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound		anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist		2007200717.0low000100
cv 3988
1
2007200717.0low000100
beta-carboline-3-carboxylic acid methyl ester
1
beta-carbolines2007200717.0low000100
methoctramine
1
hydrochloridemuscarinic antagonist2007200717.0low000100
hypotaurine
1
aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite		2007200717.0low000100
dihydrokainate
1
dicarboxylic acid2007200717.0low000100
gabazine
1
2007200717.0medium000100
cl 218872
1
pyridazines;
ring assembly		2007200717.0low000100
betaxolol hydrochloride
1
hydrochlorideantihypertensive agent;
beta-adrenergic antagonist		2007200717.0low000100
catechin
1
hydrategeroprotector2007200717.0medium000100
1-(2-methoxyphenyl)-4-(4-(2-phthalimido)butyl)piperazine
1
hydrobromideserotonergic antagonist2007200717.0medium000100
s-methylthiocitrulline
1
imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent		2007200717.0low000100
fingolimod
4
aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		2007201613.2low000220
dihydrocapsaicin
1
capsaicinoid2007200717.0low000100
ml 9
1
2007200717.0low000100
parthenolide
1
germacranolide2007200717.0low000100
3',4'-dichlorobenzamil
1
guanidines;
pyrazines		2007200717.0low000100
1-(carboxymethylthio)tetradecane
1
straight-chain fatty acid2007200717.0low000100
2-iodomelatonin
1
acetamides2007200717.0low000100
arcaine, sulfate
1
2007200717.0low000100
gr 113808
1
indolyl carboxylate ester;
piperidines;
sulfonamide		serotonergic antagonist2007200717.0low000100
gallopamil hydrochloride
1
2007200717.0low000100
gamma-glutamylaminomethylsulfonic acid
1
2007200717.0low000100
buthionine sulfoximine
1
2-amino-4-(S-butylsulfonimidoyl)butanoic acidEC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		2007200717.0low000100
sb 204070a
1
2007200717.0low000100
1-(2-(4-aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine
1
(trifluoromethyl)benzenes;
N-alkylpiperazine;
N-arylpiperazine;
primary arylamine;
substituted aniline		geroprotector;
serotonergic agonist		2007200717.0low000100
l 655240
1
methylindole2007200717.0low000100
phytosphingosine
2
amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite		2007200916.0low000200
san 58035
1
2007200717.0low000100
nnc 711
1
2007200717.0low000100
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide
1
diarylmethane2007200717.0low000100
e 64
1
dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor		2007200717.0low000100
azetidine-2,4-dicarboxylic acid
1
2007200717.0low000100
pre 084
1
morpholines2007200717.0low000100
methotrexate
1
dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent		2007200717.0low000100
1-(2-allylphenoxy)-3-((8-bromoacetylamino-4-menthane-1-yl)amino)-1-propanol
1
2007200717.0low000100
sr 2640
1
quinolines2007200717.0low000100
ici 204448
1
2007200717.0medium000100
4-amino-1-(6-chloro-2-pyridyl)piperidine hydrochloride
1
2007200717.0low000100
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
1
phenylindole2007200717.0low000100
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan
1
2007200717.0low000100
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine
1
2007200717.0low000100
l 741626
1
piperidines2007200717.0low000100
nisoxetine hydrochloride
1
2007200717.0low000100
ng-nitroarginine methyl ester
1
hydrochlorideEC 1.14.13.39 (nitric oxide synthase) inhibitor2007200717.0low000100
tilarginine acetate
1
2007200717.0low000100
alpha-guanidinoglutaric acid
1
L-glutamic acid derivative2007200717.0low000100
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer
1
2007200717.0low000100
imidazole-4-acetic acid hydrochloride
1
2007200717.0medium000100
nsc-141549
1
2007200717.0low000100
2-chloro-2-deoxyglucose
1
2007200717.0medium000100
idazoxan hydrochloride
1
2007200717.0low000100
isoguvacine hydrochloride
1
2007200717.0low000100
8-methoxymethyl-3-isobutyl-1-methylxanthine
1
oxopurine2007200717.0low000100
cyc 202
1
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2007200717.0low000100
Serotonin hydrochloride
1
tryptamines2007200717.0low000100
n-phthaloylglutamic acid
1
L-glutamic acid derivative;
phthalimides		2007200717.0low000100
1,3-dipropyl-7-methylxanthine
1
2007200717.0low000100
ag 3-5
1
C-nitro compound2007200717.0low000100
n-n-propylnorapomorphine
1
aporphine alkaloid2007200717.0low000100
urapidil monohydrochloride
1
2007200717.0low000100
aminopterin
1
dicarboxylic acidEC 1.5.1.3 (dihydrofolate reductase) inhibitor;
mutagen		2007200717.0low000100
azepexole, dihydrochloride
1
2007200717.0low000100
2,5-dimethoxy-4-iodoamphetamine hydrochloride
1
2007200717.0medium000100
abt 980
1
2007200717.0low000100
sk&f 75670
1
2007200717.0low000100
esatenolol
1
atenololbeta-adrenergic antagonist2007200717.0low000100
nbi 27914
1
dialkylarylamine;
tertiary amino compound		2007200717.0low000100
sb 216763
1
indoles;
maleimides		2007200717.0low000100
(R)-atenolol
1
atenolol2007200717.0low000100
memantine hydrochloride
1
hydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist		2007200717.0low000100
pefabloc
1
2007200717.0low000100
pongidae
1
2007200717.0medium000100
succinylproline
1
N-acyl-amino acid2007200717.0low000100
sb 205384
1
thienopyridine2007200717.0low000100
hydrastine
1
isoquinolinesmetabolite2007200717.0low000100
gabaculine hydrochloride
1
2007200717.0medium000100
etiron monohydrobromide
1
2007200717.0medium000100
bmy 7378
1
2007200717.0low000100
vesamicol
1
2007200717.0medium000100
cortisone
1
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007200717.0low000100
vincristine sulfate
1
organic sulfate saltantineoplastic agent;
geroprotector		2007200717.0low000100
n-methylserotonin oxalate salt
1
2007200717.0medium000100
nsc 95397
1
1,4-naphthoquinones2007200717.0low000100
wortmannin
1
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		2007200717.0low000100
lithium chloride
1
inorganic chloride;
lithium salt		antimanic drug;
geroprotector		2007200717.0low000100
canavanine
1
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		phytogenic insecticide;
plant metabolite		2007200717.0low000100
5-hydroxytryptophan
1
5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
plant metabolite		2007200717.0low000100
ouabain
1
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		2007200717.0low000100
tosylphenylalanyl chloromethyl ketone
1
alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor		2007200717.0low000100
monoiodotyrosine
1
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		2007200717.0low000100
nitroarginine
1
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid		2007200717.0low000100
willardiine
1
amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid		2007200717.0low000100
cortodoxone
1
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2007200717.0low000100
amiodarone hydrochloride
1
aromatic ketone2007200717.0low000100
dicyclomine hydrochloride
1
hydrochlorideantispasmodic drug;
muscarinic antagonist		2007200717.0low000100
metyrosine
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor		2007200717.0low000100
nortriptyline hydrochloride
1
organic tricyclic compoundgeroprotector2007200717.0low000100
paromomycin sulfate
1
2007200717.0medium000100
Dubinidine
1
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle		2007200717.0low000100
cyclopamine
1
piperidinesglioma-associated oncogene inhibitor2007200717.0low000100
s-(4-azidophenacyl)glutathione
1
peptide2007200717.0low000100
hydroxylamine hydrochloride
1
organic molecular entity2007200717.0medium000100
sb 228357
1
indolyl carboxylic acid2007200717.0medium000100
3,5-dihydroxyphenylglycine
1
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols		2007200717.0low000100
actinonin
1
2007200717.0low000100
vinpocetine
1
alkaloidgeroprotector2007200717.0low000100
dihydroergocristine monomesylate
1
methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent		2007200717.0low000100
tretinoin
1
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		2007200717.0low000100
resveratrol
1
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		2007200717.0low000100
oleic acid
1
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		2007200717.0low000100
thapsigargin
1
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		2007200717.0low000100
brivudine
1
2007200717.0low000100
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
1
carbotetracyclic compound;
polyphenol		estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent		2007200717.0low000100
2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
1
2007200717.0medium000100
adenosine-5'-(n-ethylcarboxamide)
1
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		2007200717.0low000100
L-cycloserine
1
4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor		2007200717.0low000100
1,4-dideoxy-1,4-imino-d-arabinitol
1
2007200717.0low000100
purvalanol a
1
purvalanol2007200717.0low000100
melphalan
1
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		2007200717.0low000100
isoliquiritigenin
1
chalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist		2007200717.0low000100
rauwolscine
1
methyl 17-hydroxy-20xi-yohimban-16-carboxylate2007200717.0low000100
gw9662
1
benzamides2007200717.0low000100
calmidazolium
1
organic chloride saltapoptosis inducer;
calmodulin antagonist		2007200717.0low000100
tropisetron hydrochloride
1
2007200717.0medium000100
Reactive blue 2
1
anthraquinone2007200717.0medium000100
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one
1
dichlorobenzene2007200717.0low000100
quinidine sulfate
1
2007200717.0medium000100
ipratropium bromide anhydrous
1
2007200717.0low000100
methamilane methiodide
1
2007200717.0medium000100
pilocarpine nitrate
1
2007200717.0low000100
r 59949
1
diarylmethane2007200717.0low000100
n(6)-cyclopentyladenosine
1
2007200717.0low000100
methylatropine nitrate
1
2007200717.0low000100
sb 366791
1
2007200717.0low000100
ag-213
1
2007200717.0low000100
3,3',4,5'-tetrahydroxystilbene
1
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		2007200717.0low000100
bemesetron
1
2007200717.0low000100
(S)-(-)-pindolol
1
pindolol2007200717.0low000100
levosulpiride
1
sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist		2007200717.0low000100
caffeic acid
1
caffeic acidgeroprotector;
mouse metabolite		2007200717.0low000100
4-fluorophenyl-L-alanine
1
4-fluorophenylalanine;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid		2007200717.0low000100
urocanic acid
1
urocanic acidhuman metabolite2007200717.0low000100
cotinine
1
N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite		2007200717.0low000100
cinnarizine
1
diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist		2007200717.0low000100
sulindac
1
monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent		2007200717.0low000100
cysteine sulfinic acid
1
organosulfinic acid;
S-substituted L-cysteine		Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite		2007200717.0low000100
d-ap7
1
2007200717.0medium000100
(1R,2S)-tranylcypromine hydrochloride
1
hydrochloride2007200717.0low000100
tacrine hydrochloride
1
2007200717.0low000100
4-bromotetramisole, oxalate (1:1), salt(s)-isomer
1
2007200717.0medium000100
3-hydroxybenzylhydrazine hydrochloride
1
2007200717.0medium000100
1-(3-chlorophenyl)biguanide hydrochloride
1
2007200717.0medium000100
4-chlorophenylalanine methyl ester, hydrochloride, (dl)-isomer
1
2007200717.0medium000100
capsazepine
1
benzazepine;
catechols;
monochlorobenzenes;
thioureas		capsaicin receptor antagonist2007200717.0low000100
diphenyleneiodium chloride
1
organic chloride saltEC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
G-protein-coupled receptor agonist		2007200717.0low000100
azetidine-2,4-dicarboxylic acid, (cis)-isomer
1
2007200717.0medium000100
tamoxifen citrate
1
citrate saltangiogenesis inhibitor;
anticoronaviral agent		2007200717.0low000100
pimagedine hydrochloride
1
2007200717.0medium000100
Betaine Aldehyde Chloride
1
quaternary ammonium salt2007200717.0medium000100
eskazine
1
2007200717.0low000100
monastrol
1
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		2007200717.0low000100
u 0126
1
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		2007200717.0low000100
4-diphenylacetoxy-n-methylpiperidine methiodide
1
iodide salt;
quaternary ammonium salt		cholinergic antagonist;
muscarinic antagonist		2007200717.0low000100
1-(4-hydroxybenzyl)imidazole-2-thiol
1
2007200717.0low000100
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide
1
2007200717.0low000100
bp 897
1
naphthalenecarboxamide2007200717.0low000100
trequinsin hydrochloride
1
2007200717.0low000100
neboglamine
1
2007200717.0low000100
benzatropine methanesulfonate
1
2007200717.0medium000100
sb 203186
1
indolyl carboxylic acid2007200717.0medium000100
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea
1
1,2-thiazoles;
indoles;
ureas		receptor modulator;
serotonergic antagonist		2007200717.0low000100
gw 7647
1
aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist2007200717.0low000100
ro 41-0960
1
2007200717.0low000100
cgp 13501
1
alkylbenzene2007200717.0low000100
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
1
2007200717.0low000100
brl 15572
1
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
secondary alcohol		geroprotector;
serotonergic antagonist		2007200717.0low000100
mrs 1523
1
2007200717.0low000100
or486
1
2007200717.0low000100
fg 9041
1
quinoxaline derivative2007200717.0low000100
iik7
1
2007200717.0low000100
sb 415286
1
C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent		2007200717.0low000100
dm 235
1
2007200717.0low000100
jhw 015
1
indolecarboxamide2007200717.0low000100
bw 723c86
1
tryptamines2007200717.0low000100
sc 560
1
aromatic ether;
monochlorobenzenes;
organofluorine compound;
pyrazoles		angiogenesis modulating agent;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 1 inhibitor;
non-steroidal anti-inflammatory drug		2007200717.0low000100
sc-19220
1
aromatic ether2007200717.0low000100
le 300
1
indoles2007200717.0low000100
ly 367265
1
dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline		antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor		2007200717.0low000100
diclofenac sodium
1
organic sodium salt2007200717.0low000100
cgp 7930
1
alkylbenzene2007200717.0low000100
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole
1
phenols;
pyrazoles		estrogen receptor agonist2007200717.0low000100
sib 1757
1
2007200717.0low000100
apigenin
1
trihydroxyflavoneantineoplastic agent;
metabolite		2007200717.0low000100
luteolin
1
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		2007200717.0low000100
daphnetin
1
hydroxycoumarin2007200717.0low000100
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2007200717.0low000100
amphotericin b
1
antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite		2002200222.0low000100
pulmicort
1
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		2007200717.0low000100
timolol maleate
1
maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		2007200717.0low000100
brompheniramine maleate
1
maleate saltanti-allergic agent2007200717.0low000100
chlorpheniramine maleate
1
organic molecular entity2007200717.0low000100
clemastine fumarate
1
fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist		2007200717.0low000100
methylergonovine maleate
1
ergoline alkaloidgeroprotector2007200717.0medium000100
astaxanthine
1
carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite		2007200717.0low000100
harman
1
harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite		2007200717.0low000100
morin
1
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		2007200717.0low000100
myricetin
1
7-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite		2007200717.0low000100
daidzein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite		2007200717.0low000100
caffeic acid phenethyl ester
1
alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent		2007200717.0low000100
rottlerin
1
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		2007200717.0low000100
flupenthixol
1
flupenthixoldopaminergic antagonist2007200717.0low000100
n-oleoyldopamine
1
catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide		TRPV1 agonist2007200717.0low000100
pheniramine maleate
1
organic molecular entity2007200717.0low000100
tranilast
1
amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent		2007200717.0low000100
n,n-dimethylsphingenine
3
aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite		1998201616.3low001110
trimipramine maleate
1
maleate saltantidepressant2007200717.0low000100
isotretinoin
1
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		2007200717.0low000100
xylometazoline hydrochloride
1
2007200717.0low000100
flunarizine hydrochloride
1
diarylmethane2007200717.0low000100
ketotifen fumarate
1
organoammonium saltanti-asthmatic drug;
H1-receptor antagonist		2007200717.0low000100
cis-flupenthixol dihydrochloride
1
hydrochloridegeroprotector2007200717.0medium000100
n-arachidonylglycine
1
fatty amide;
N-acylglycine		2007200717.0low000100
n-oleoylethanolamine
1
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist		2007200717.0low000100
sphingosine 1-phosphate
1
sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent		2007200717.0low000100
n-palmitoylsphingosine
1
Cer(d34:1);
N-acylsphingosine;
N-palmitoyl-sphingoid base		human blood serum metabolite;
Mycoplasma genitalium metabolite		1998199826.0low001000
cyclosporine
1
homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite		2007200717.0low000100
phenoxybenzamine hydrochloride
1
organic molecular entity2007200717.0low000100
phenylephrine hydrochloride
1
hydrochloride2007200717.0low000100
mepyramine maleate
1
2007200717.0low000100
brefeldin a
1
macrolide antibioticPenicillium metabolite2007200717.0low000100
fenretinide
1
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		2007200717.0low000100
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid
1
benzoic acids;
naphthalenes;
retinoid		antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent		2007200717.0low000100
l-2-(carboxypropyl)glycine
1
2007200717.0low000100
4-aminocrotonic acid
1
2007200717.0low000100
denopamine
1
dimethoxybenzene2007200717.0low000100
l 655,708
1
2007200717.0low000100
ro 41-1049
1
2007200717.0low000100
sb 200646a
1
2007200717.0medium000100
seglitide
1
2007200717.0low000100
sib 1893
1
2007200717.0low000100
su 6656
1
2007200717.0low000100
tyrphostin ag 555
1
2007200717.0low000100
tyrphostin ag-494
1
2007200717.0low000100
tyrphostin b44
1
2007200717.0low000100
ag-490
1
catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor		2007200717.0low000100
ag 112
1
2007200717.0low000100
ag 183
1
2007200717.0low000100
semaxinib
1
olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		2007200717.0low000100
8-(3-chlorostyryl)caffeine
1
monochlorobenzenes;
trimethylxanthine		adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor		2007200717.0low000100
bay 11-7085
1
benzenes;
nitrile;
sulfone		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor		2007200717.0low000100
molsidomine
1
ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent		2007200717.0low000100
diamide
1
1,1'-azobis(N,N-dimethylformamide)2007200717.0low000100
nomifensine maleate
1
2007200717.0low000100
nalbuphine hydrochloride
1
hydrochloride2007200717.0low000100
isoalloxazine
1
benzo[g]pteridine-2,4-dione2007200717.0low000100
vinblastine sulfate
1
2007200717.0low000100
n-methylscopolamine bromide
1
2007200717.0low000100
dextromethorphan hydrobromide
1
hydrate;
hydrobromide		2007200717.0low000100
naloxone hydrochloride
1
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2007200717.0low000100
s-trans,trans-farnesylthiosalicylic acid
1
sesquiterpenoid2007200717.0low000100
sulindac sulfone
1
monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor		2007200717.0low000100
naltrexone hydrochloride
1
hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2007200717.0low000100
n-acetylsphingosine
2
N-acylsphingosine1998201617.0low001010
guanabenz acetate
1
dichlorobenzenegeroprotector2007200717.0low000100
nylidrin hydrochloride
1
alkylbenzene2007200717.0low000100
triprolidine hydrochloride anhydrous
1
hydrochlorideH1-receptor antagonist2007200717.0low000100
famotidine
1
1,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor		2007200717.0low000100
fenoterol
1
hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent		2007200717.0low000100
tiapridex
1
benzamides2007200717.0low000100
quipazine maleate
1
2007200717.0low000100
n-(2-aminoethyl)-4-chlorobenzamide hydrochloride
1
2007200717.0low000100
tulobuterol hydrochloride
1
organic molecular entity2007200717.0low000100
hp 029
1
2007200717.0low000100
n-caproylsphingosine
1
N-acylsphingosine1998199826.0low001000
2,3-n-octanoylsphingosine
1
N-acylsphingosine1998199826.0low001000
n,n,n-trimethyl-1-(4-stilbenoxy)-2-propylammonium iodide
1
2007200717.0medium000100
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one
1
naphthalenes2007200717.0low000100
nf023
1
2007200717.0medium000100
nf 449
1
2007200717.0medium000100
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
1
2007200717.0low000100
gr 46611
1
2007200717.0low000100
diacetylmonoxime
1
2007200717.0low000100
homatropine hydrobromide, (endo-(+-)-isomer)
1
2007200717.0low000100
vancomycin hydrochloride
1
2007200717.0low000100
moxisylyte hydrochloride
1
monoterpenoid2007200717.0low000100
dizocilpine maleate
1
maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		2007200717.0low000100
beta-aminopropionitrile fumarate
1
2007200717.0low000100
flupirtine
1
2007200717.0low000100
zimelidine hydrochloride
1
2007200717.0medium000100
antazirine
1
alpha-amino acid ester2010201014.0medium000100
pregna-4,17-diene-3,16-dione, (17z)-isomer
1
2007200717.0low000100
su 4312
1
2007200717.0low000100
gw 1929
1
benzophenones2007200717.0low000100
protriptyline hydrochloride
1
hydrochlorideantidepressant2007200717.0low000100
n(4)-chloroacetylcytosine arabinoside
1
2007200717.0low000100
n-(3-(cyclohexylidene-(1h-imidazol-4-ylmethyl))phenyl)ethanesulfonamide
1
2007200717.0low000100
n-(4-amino-2-chlorophenyl)phthalimide
1
2007200717.0low000100
cb 34
1
2007200717.0low000100
b 43
1
aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		2007200717.0low000100
(8R)-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
1
aporphine alkaloid2007200717.0low000100
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
1
aporphine alkaloid2007200717.0low000100
3-(6-chloro-3-pyridazinyl)-3,8-diazabicyclo(3.2.1)octane
1
2007200717.0medium000100
2-(3,3-diphenylpropylamino)acetamide
1
diarylmethane2007200717.0low000100
4-(2-(phenylsulfonylamino)ethylthio)-2,6-difluorophenoxyacetamide
1
2007200717.0low000100
gw2974
1
pyridopyrimidine2007200717.0low000100
l 162313
1
2007200717.0low000100
l-165041
1
aromatic ketone2007200717.0low000100
mrs 1754
1
oxopurine2007200717.0low000100
s-nitroso-n-acetylpenicillamine
1
nitroso compound;
nitrosothio compound		nitric oxide donor;
vasodilator agent		2007200717.0low000100
pd 404182
1
2007200717.0medium000100
sb 222200
1
quinolines2007200717.0low000100
dantrolene sodium
1
2007200717.0low000100
cr 2945
1
2007200717.0low000100
sb 218795
1
quinolines2007200717.0low000100
dihydroceramide
2
N-acylsphinganine2007201612.5high000110
epinephrine bitartrate
1
2007200717.0low000100
bicuculline methobromide
1
2007200717.0low000100
butylscopolammonium bromide
1
2007200717.0low000100
butaclamol hydrochloride
1
2007200717.0low000100
a 38503
1
2007200717.0low000100
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide
1
2007200717.0low000100
sk&f 89976-a
1
2007200717.0low000100
cv 1808
1
purine nucleoside2007200717.0low000100
fluvoxamine maleate
1
(trifluoromethyl)benzenes2007200717.0low000100
naloxone benzoylhydrazone
1
2007200717.0low000100
2-methyl-6-(phenylethynyl)pyridine hydrochloride
1
hydrochlorideanxiolytic drug;
metabotropic glutamate receptor antagonist		2007200717.0low000100
amiprilose
1
2007200717.0medium000100
(R)-fluoxetine hydrochloride
1
hydrochlorideantidepressant;
serotonin uptake inhibitor		2007200717.0medium000100
desmethylselegiline hydrochloride
1
2007200717.0medium000100
3-morpholino-sydnonimine monohydrochloride
1
2007200717.0low000100
t 1032
1
2007200717.0low000100
qx-314 bromide
1
2007200717.0medium000100
(S)-fluoxetine hydrochloride
1
hydrochlorideantidepressant;
serotonin uptake inhibitor		2007200717.0medium000100
sr 59230a
1
2007200717.0low000100
u 74389g
1
2007200717.0medium000100
1-(2-methoxyphenyl)piperazine hydrochloride
1
2007200717.0low000100
y 27632, dihydrochloride, (4(r)-trans)-isomer
1
2007200717.0medium000100
noscapine hydrochloride
1
2007200717.0medium000100
a 77636
1
hydrochlorideantiparkinson drug;
dopamine agonist		2007200717.0medium000100
cgp 20712a
1
2007200717.0low000100
levodopa methyl ester hydrochloride
1
2007200717.0low000100
benalfocin hydrochloride
1
2007200717.0medium000100
lu 19005
1
2007200717.0medium000100
benoxathian hydrochloride
1
2007200717.0medium000100
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid, (+)-isomer
1
2007200717.0low000100
n-cyclopropyl adenosine-5'-carboxamide
1
2007200717.0low000100
cefotaxime sodium
1
organic sodium salt2007200717.0low000100
calpain inhibitor iii
1
2007200717.0low000100
GR 127935 hydrochloride
1
hydrochlorideserotonergic antagonist2007200717.0medium000100
mrs 1845
1
2007200717.0low000100
1-aminocyclopropane-1-carboxylic acid hydrochloride
1
2007200717.0medium000100
alaproclate hydrochloride
1
2007200717.0medium000100
ubenimex
1
peptide2007200717.0low000100
3-chloroalanine hydrochloride, (l-ala)-isomer
1
2007200717.0medium000100
dsp 4 hydrochloride
1
2007200717.0medium000100
calcimycin
1
benzoxazole2007200717.0low000100
(2-(2',6'-dimethoxy)phenoxyethylamino)methylbenzodioxan hydrochloride
1
hydrochloridealpha-adrenergic antagonist2007200717.0low000100
2-cyclooctyl-2-hydroxyethylamine hydrochloride
1
2007200717.0medium000100
cirazoline monohydrochloride
1
2007200717.0medium000100
adtn
1
2007200717.0medium000100
apocodeine hydrochloride, (r)-isomer
1
2007200717.0medium000100
Dihydro-beta-erythroidine hydrobromide
1
indoles2007200717.0medium000100
lilly 78335
1
2007200717.0medium000100
efaroxan hydrochloride
1
2007200717.0low000100
fenoldopam hydrobromide
1
2007200717.0low000100
1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride
1
hydrochloridedopamine uptake inhibitor2007200717.0medium000100
guvacine hydrochloride
1
2007200717.0medium000100
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide
1
2007200717.0low000100
8-hydroxy-2-(di-n-propylamino)tetralin hydrobromide, (r)-isomer,
1
organic molecular entity2007200717.0low000100
1-(2-(4-(4-fluoro-benzoyl)-piperidin-1-yl)-ethyl)-3,3-dimethyl-1,2-dihydro-indol-2-one
1
hydrochloridereceptor modulator;
serotonergic antagonist		2007200717.0low000100
4-iodoclonidine
1
2007200717.0medium000100
4-methylpyrazole monohydrochloride
1
2007200717.0low000100
tele-methylhistamine
1
2007200717.0medium000100
alpha-methyltyrosine methyl ester, monohydrochloride
1
2007200717.0medium000100
octoclothepine maleate
1
2007200717.0low000100
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride
1
2007200717.0low000100
du 24565
1
2007200717.0medium000100
2-methoxyidazoxan hydrochloride
1
2007200717.0medium000100
ro 25-6981
1
2007200717.0medium000100
sk&f 77434
1
hydrobromidedopamine agonist;
prodrug		2007200717.0low000100
3-[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea
1
organic heterotetracyclic compound;
organonitrogen heterocyclic compound		2007200717.0medium000100
demethylcantharidin
1
2007200717.0low000100
atropine sulfate
1
2007200717.0low000100
1-deoxynojirimycin hydrochloride
1
2007200717.0medium000100
xestoaminol c
1
amino alcohol;
sphingoid		metabolite2011201113.0medium000010
win 62577
1
2007200717.0medium000100
quinine sulfate
1
hydrate2007200717.0low000100
quercetin
1
2007200717.0low000100
rv 538, (r-(r*,r*))-isomer
1
2007200717.0medium000100
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (1s-cis)-isomer
1
2007200717.0medium000100
valproate sodium
1
organic sodium saltgeroprotector2007200717.0low000100
u 63557a
1
2007200717.0low000100
taurocholic acid, monosodium salt
1
bile salt2007200717.0medium000100
cefmetazole sodium
1
organic sodium saltantimicrobial agent2007200717.0low000100
fusidate sodium
1
2007200717.0medium000100
cephapirin sodium
1
cephalosporin;
organic sodium salt		antibacterial drug2007200717.0low000100
sodium cephalothin
1
organic sodium salt2007200717.0low000100
cefazolin sodium
1
organic sodium salt2007200717.0low000100
5-hydroxydecanoic acid, monosodium salt
1
2007200717.0medium000100
ro13-9904
1
2007200717.0low000100
phenytoin sodium
1
2007200717.0low000100
cr 1409
1
2007200717.0low000100
cortisol succinate, sodium salt
1
organic molecular entity2007200717.0low000100
piroxicam
1
benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		2007200717.0low000100
lfm a13
1
aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor		2007200717.0low000100
l 701324
1
quinolines2007200717.0low000100
hispidin
1
2-pyranones;
catechols		antioxidant;
EC 2.7.11.13 (protein kinase C) inhibitor;
fungal metabolite		2007200717.0low000100
minocycline hydrochloride
1
2007200717.0low000100
demeclocycline hydrochloride
1
2007200717.0low000100
acyclovir
1
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		2007200717.0low000100
sepiapterin
1
sepiapterin2007200717.0low000100
isoxanthopterin
1
dihydroxypteridine2007200717.0low000100
clozapine
1
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		2007200717.0low000100
ganciclovir
1
2-aminopurines;
oxopurine		antiinfective agent;
antiviral drug		2007200717.0low000100
zaprinast
1
triazolopyrimidines2007200717.0low000100
allopurinol
1
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		2007200717.0low000100
thiolactomycin
1
2007200717.0low000100
2,4-diaminohypoxanthine
1
hydroxypyrimidine2007200717.0low000100
quazinone
1
2007200717.0low000100
8-bromocyclic gmp, sodium salt
1
organic sodium saltmuscle relaxant;
protein kinase G agonist		2007200717.0medium000100
ag-879
1
2007200717.0low000100
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
acetylcarnitine
2
O-acylcarnitinehuman metabolite201720196.0low000020
2,3-diphosphoglycerate
3
bisphosphoglyceric acid;
tetronic acid derivative		human metabolite201620206.3low000030
3-chloroalanine
8
chloroalanine;
non-proteinogenic alpha-amino acid;
organochlorine compound		1988200923.4medium012500
acetoacetic acid
1
3-oxo fatty acid;
ketone body		metabolite1986198638.0low010000
phosphoserine
8
non-proteinogenic alpha-amino acid;
O-phosphoamino acid;
serine derivative		human metabolite1999201913.5low002240
gamma-aminobutyric acid
5
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule		1988201823.2low012110
aminolevulinic acid
1
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		202220222.0low000001
5-hydroxytryptophan
1
hydroxytryptophanhuman metabolite;
neurotransmitter		201720177.0low000010
acetic acid
1
monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent		1993199331.0low001000
acetaldehyde
2
aldehydecarcinogenic 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		1999201019.5low001100
adenine
7
6-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1993201517.3low002140
ammonium hydroxide
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		2014201410.0low000010
quinacrine
2
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor		1995200325.0low001100
beta-alanine
17
amino acid zwitterion;
beta-amino acid		agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter		1988201617.8low012950
benzene
2
aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent		1995201220.5low001010
1-butanol
7
alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent		1974200927.4low012400
butyric acid
2
fatty acid 4:0;
straight-chain saturated fatty acid		human urinary metabolite;
Mycoplasma genitalium metabolite		1987201722.0low010010
cadaverine
1
alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite		2005200519.0low000100
carbamates
3
amino-acid anion2001201216.3low000210
carbon monoxide
2
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		1987200030.5low011000
formic acid
2
monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent		1954200345.5low010100
carnitine
10
amino-acid betainehuman metabolite;
mouse metabolite		1995202310.5low001342
methane
6
alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas		1973200537.2low032100
choline
34
cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite		1958202234.2low01512232
citric acid, anhydrous
3
tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite		201520216.0low000021
chlorine
12
halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite		1992202216.9low004431
hydrochloric acid
2
chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite1974200534.5low010100
coumarin
1
coumarinsfluorescent dye;
human metabolite;
plant metabolite		201820186.0low000010
salicylic acid
2
monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite		2002201515.5low000110
aminoethylphosphonic acid
3
phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite		1973197649.0low030000
gallic acid
3
trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite		1997201022.3low002100
gamma-guanidinobutyric acid
1
guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2014201410.0low000010
n(g),n(g')-dimethyl-l-arginine
2
alpha-amino acid2013201510.0low000020
arsenous acid
1
arsenic oxoacid2004200420.0low000100
3,4-dihydroxyphenylacetic acid
3
catechols;
dihydroxyphenylacetic acid		human metabolite1993199530.0low003000
creatine
1
glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical		202120213.0low000001
cytosine
1
aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2005200519.0low000100
lactic acid
9
2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite		2010201810.8low000180
dihydroxyacetone
1
ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2005200519.0low000100
dimethyl sulfoxide
10
sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger		1973201724.5low031420
ethanolamine
10
ethanolamines;
primary alcohol;
primary amine		Escherichia coli metabolite;
human metabolite;
mouse metabolite		1954201726.7low015220
formaldehyde
1
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		2007200717.0low000100
glycine
6
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		1971201631.2low022110
glycerol
16
alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent		1971201535.1low075310
hydrogen carbonate
1
carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201620168.0low000010
histamine
18
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		1996201517.8low0041040
hydrogen
4
elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite		1993201724.0low003010
hydrogen
3
elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite		1993199729.7low003000
hydroquinone
1
benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent		1995199529.0low001000
indole
1
indole;
polycyclic heteroarene		Escherichia coli metabolite201720177.0low000010
iodine
2
diatomic iodinenutrient1972197451.0low020000
dihydroxyphenylalanine
3
hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite1992201723.3low002010
kynurenine
2
aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite201820224.0low000011
thioctic acid
1
dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector		2013201311.0low000010
pyruvaldehyde
1
2-oxo aldehyde;
propanals		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1994199430.0low001000
methanol
20
alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite		1973202217.4low041294
inositol
24
cyclitol;
hexol		1972201728.9low0610440
melatonin
5
acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger		201620225.8low000041
naphthalene
1
naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component		2012201212.0low000010
nickel
3
metal allergen;
nickel group element atom		epitope;
micronutrient		2000201018.0low001200
niacinamide
6
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		1998201715.0low002040
niacin
2
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		2013201311.0low000020
nitrates
1
monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		1997199727.0low001000
oxalic acid
1
alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite		1994199430.0low001000
4-aminobenzoic acid
2
aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite		2004200818.0low000200
hexadecanal
1
2,3-saturated fatty aldehyde;
long-chain fatty aldehyde		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2014201410.0low000010
palmitic acid
37
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		1985202122.4low02171251
phosphorylcholine
278
phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite		1958202219.5low2787122557
phosphorylethanolamine
3
phosphoethanolamine;
primary amino compound		algal metabolite;
human metabolite;
mouse metabolite		2005202210.0low000111
porphobilinogen
1
aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite		2007200717.0low000100
purine
1
purine2001200123.0low000100
pyridoxal phosphate
3
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		1984201723.7low011010
pyridoxine
3
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1973201626.0low010110
pyruvic acid
2
2-oxo monocarboxylic acidcofactor;
fundamental metabolite		2002200321.5low000200
thiosulfates
1
divalent inorganic anion;
sulfur oxide;
sulfur oxoanion		human metabolite1972197252.0low010000
spermine
5
polyazaalkane;
tetramine		antioxidant;
fundamental metabolite;
immunosuppressive agent		1991199929.4low005000
succinic acid
2
alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent		2003202012.5low000110
taurine
2
amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite		2009200915.0low000200
trimethyloxamine
1
tertiary amine oxideEscherichia coli metabolite;
metabolite;
osmolyte		202120213.0low000001
uracil
1
pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		201620168.0low000010
uric acid
4
uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite		1997202113.5low001111
urea
5
isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1972201126.0low010310
xanthine
1
xanthineSaccharomyces cerevisiae metabolite2014201410.0low000010
2-amino-5-phosphonovalerate
2
non-proteinogenic alpha-amino acidNMDA receptor antagonist1996201021.0low001100
2-amino-5-phosphonovalerate
1
non-proteinogenic alpha-amino acidNMDA receptor antagonist1996199628.0low001000
8-hydroxy-2-(di-n-propylamino)tetralin
1
phenols;
tertiary amino compound;
tetralins		serotonergic antagonist201720177.0low000010
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
2
non-proteinogenic alpha-amino acid2010201113.5low000110
1,10-phenanthroline
2
phenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor		1994200027.0low002000
1,2-didecanoylglycerol
1
1,2-diglyceride;
decanoate ester		1999199925.0low001000
1,2-dioctanoylglycerol
20
1986200232.8low0712100
pk 11195
1
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent1990199034.0low001000
1-(5-isoquinolinylsulfonyl)-3-methylpiperazine
1
2000200024.0low001000
1-anilino-8-naphthalenesulfonate
9
aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe1971202216.4low110251
1-anilino-8-naphthalenesulfonate
8
aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe1971202217.1low110241
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
2
methylpyridines;
phenylpyridine;
tetrahydropyridine		neurotoxin1994199529.5low002000
edelfosine
2
glycerophosphocholine1998200323.5low001100
1-oleoyl-2-acetoyl-sn-glycerol
1
2008200816.0low000100
n-(3-(aminomethyl)benzyl)acetamidine
1
aralkylamine;
carboxamidine;
primary amino compound		angiogenesis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector		2004200420.0low000100
1h-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one
1
oxadiazoloquinoxalineEC 4.6.1.2 (guanylate cyclase) inhibitor2000200024.0low001000
2,2'-dipyridyl
3
bipyridinechelator;
ferroptosis inhibitor		2009201413.0low000210
2-fluorohexadecanoic acid
1
fluoro fatty acid;
long-chain fatty acid		1984198440.0medium010000
mercaptoethanol
3
alkanethiol;
primary alcohol		geroprotector1971200140.7low020100
2-aminoethoxydiphenyl borate
3
organoboron compound;
primary amino compound		calcium channel blocker;
IP3 receptor antagonist;
potassium channel opener		2006201115.0low000210
3-aminobenzamide
1
benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor1999199925.0low001000
3-hydroxybenzylhydrazine
1
phenols1992199232.0low001000
3-nitropropionic acid
1
C-nitro compoundantimycobacterial drug;
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor;
mycotoxin;
neurotoxin		202320231.0low000001
ro 5-4864
1
1990199034.0low001000
4-(2-aminoethyl)benzenesulfonylfluoride
1
1999199925.0low001000
4-aminopyridine
8
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		1991201319.4low003230
homovanillic acid
1
guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite		1994199430.0low001000
phenytoin
1
imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent		201820186.0low000010
5,8,11,14-eicosatetraynoic acid
1
long-chain fatty acid1995199529.0low001000
dansyl acid
1
202120213.0low000001
ethylisopropylamiloride
5
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound		anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker		1988199931.2low014000
5-hydroxydecanoate
1
medium-chain fatty acid2001200123.0low000100
6-fluoronorepinephrine
1
catechols1992199232.0low001000
7-nitroindazole
1
2004200420.0low000100
8-(4-sulfophenyl)theophylline
1
2009200915.0low000100
tacrine
1
acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor1996199628.0low001000
acetaminophen
1
acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		201920195.0low000010
tyrphostin ag 1024
1
alkylbenzene2006200618.0low000100
ag-1296
6
quinoxaline derivative2000201517.8low001320
tyrphostin a23
1
catechols2004200420.0low000100
albuterol
2
phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic		2006201215.0low000110
alendronate
1
1,1-bis(phosphonic acid);
primary amino compound		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor		201520159.0low000010
aluminum fluoride
1
aluminium coordination entity1994199430.0low001000
am 251
1
amidopiperidine;
carbohydrazide;
dichlorobenzene;
organoiodine compound;
pyrazoles		antidepressant;
antineoplastic agent;
apoptosis inducer;
CB1 receptor antagonist		1999199925.0low001000
amantadine
1
adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic		1997199727.0low001000
theophylline
4
dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent		1990201124.0low002110
amiodarone
2
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug1997201717.0low001010
amitriptyline
2
carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic		2002201316.5low000110
amsacrine
1
acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		1998199826.0low001000
antipyrine
1
pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic		2007200717.0low000100
acetovanillone
2
acetophenones;
aromatic ketone;
methyl ketone		antirheumatic drug;
EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite		2003201117.0low000110
aristolochic acid i
2
aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin		1992200426.0low001100
aspirin
5
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		2011201810.4low200050
atenolol
2
ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic		2000200820.0low101100
aurintricarboxylic acid
1
monohydroxybenzoic acid;
quinomethanes;
tricarboxylic acid		fluorochrome;
histological dye;
insulin-like growth factor receptor 1 antagonist		1999199925.0low001000
azathioprine
6
aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug		2003201217.0low000510
azobenzene
1
azobenzenes201920195.0low000010
bay-k-8644
3
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		1991201324.0low002010
benzo(a)pyrene
1
ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite		1994199430.0low001000
benzothiazide
1
benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic		2012201212.0low000010
berberine
5
alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker		201020227.0low000131
diminazene
1
carboxamidine;
triazene derivative		antiparasitic agent;
trypanocidal drug		2009200915.0low000100
bisbenzimidazole
2
bibenzimidazole;
N-methylpiperazine		anthelminthic drug;
fluorochrome		1993199729.0low002000
bisindolylmaleimide i
12
1995201721.5low007320
ro 31-7549
2
1990199233.0low002000
bupivacaine
1
aromatic amide;
piperidinecarboxamide;
tertiary amino compound		2010201014.0low000100
busulfan
2
methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent		2013201410.5low000020
caffeine
8
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		1992201522.6low004220
verapamil
14
aromatic ether;
nitrile;
polyether;
tertiary amino compound		1991201722.9low008330
calmidazolium
5
imidazolium ionapoptosis inducer;
calmodulin antagonist		1990201027.2low004100
carvedilol
2
carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent		2008200915.5low000200
celecoxib
2
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2012201411.0low000020
cetyltrimethylammonium ion
1
quaternary ammonium ion1988198836.0low010000
cgp 12177
1
aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist1994199430.0low001000
chelerythrine
17
benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		1993201224.4low0010610
chloroquine
4
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug		1994200725.8low003100
chlorpheniramine
1
monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor		1991199133.0low001000
chlorpromazine
7
organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug		1988201925.3low014110
ciclopirox
1
cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone		antibacterial agent;
antiseborrheic		2013201311.0low000010
cilostazol
1
lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent		1991199133.0low001000
citalopram
1
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound		2013201311.0low000010
clofibrate
2
aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist		1996201419.0low001010
clonidine
1
clonidine;
imidazoline		2007200717.0low000100
conduritol epoxide
3
cyclitol;
epoxide;
tetrol		1981199437.3low021000
cycloleucine
1
non-proteinogenic alpha-amino acidEC 2.5.1.6 (methionine adenosyltransferase) inhibitor1991199133.0low001000
cystamine
1
organic disulfide;
primary amino compound		EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor2011201113.0low000010
dapi
3
indolesfluorochrome1998200124.7low002100
deferoxamine
1
acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore		2007200717.0low000100
desipramine
4
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		2002201118.0low000310
r 59022
4
diarylmethane1989199630.8low013000
dibucaine
3
aromatic ether;
monocarboxylic acid amide;
tertiary amino compound		topical anaesthetic1998201121.3low002010
diethyl pyrocarbonate
1
acyclic carboxylic anhydride1996199628.0low001000
pentetic acid
1
pentacarboxylic acidcopper chelator1987198737.0low010000
dihydrocytochalasin b
1
2007200717.0low000100
diphenyleneiodonium
2
organic cation2003200719.0low000200
valproic acid
5
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		201220188.0low000050
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol
2
benzyl alcohols;
fatty amide;
morpholines;
secondary alcohol;
tertiary amino compound		2003200420.5low000200
n(6),n(6)-dimethyladenine
1
tertiary amine1993199331.0low001000
ebselen
1
benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger		2010201014.0low000100
emodin
1
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor		201820186.0low000010
erythrosine
4
1991200922.5low001300
carbonyl cyanide p-trifluoromethoxyphenylhydrazone
2
aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore		2002201018.0low000200
fenofibrate
2
aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		201220217.5low000011
fluconazole
1
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic		201520159.0low000010
fluorouracil
5
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		2004201815.4low000320
fluoxetine
1
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound		2002200222.0low000100
furosemide
1
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		1992199232.0low001000
fusaric acid
1
aromatic carboxylic acid;
pyridines		1993199331.0low001000
gabapentin
1
gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic		2008200816.0low000100
gabexate
1
benzoate ester2014201410.0low000010
gentamicin
2
1991201023.5low001100
glyburide
4
monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent		2009201513.0low000220
gö6983
1
indoles;
maleimides		2014201410.0low000010
go 6976
8
indolocarbazole;
organic heterohexacyclic compound		EC 2.7.11.13 (protein kinase C) inhibitor1997200523.0low004400
gossypol
1
1990199034.0low001000
guaifenesin
1
methoxybenzenes1994199430.0low001000
guanidine
3
carboxamidine;
guanidines;
one-carbon compound		2005202212.0low000201
n-(2-(methylamino)ethyl)-5-isoquinolinesulfonamide
4
isoquinolines;
sulfonamide		1992199730.2low004000
1-(5-isoquinolinesulfonyl)-2-methylpiperazine
110
isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor1988201931.2low02381420
n-(2-aminoethyl)-5-isoquinolinesulfonamide
2
1997200523.0low001100
1-(5-isoquinolinesulfonyl)piperazine
1
isoquinolines1989198935.0low010000
ha 1004
6
isoquinolines1988199931.8low024000
fasudil
3
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		2008201912.0low000210
halothane
1
haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic1995199529.0low001000
miltefosine
3
phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor		1998201912.3low001020
hexamethonium
1
quaternary ammonium salt1994199430.0low001000
ethidium
1
phenanthridinesfluorochrome;
intercalator		2007200717.0low000100
hydroxyurea
1
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		202120213.0low000001
ibuprofen
1
monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic		201520159.0low000010
imipramine
6
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		1991201623.5low004110
indomethacin
10
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		1988201124.6low025210
avapro
1
azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2001200123.0low000100
1-methyl-3-isobutylxanthine
6
3-isobutyl-1-methylxanthine1988200429.0low013200
isoflurane
7
organofluorine compoundinhalation anaesthetic1998202014.0low001330
isoniazid
1
carbohydrazideantitubercular agent;
drug allergen		2000200024.0low001000
2-propanol
1
secondary alcohol;
secondary fatty alcohol		protic solvent2004200420.0low000100
isoproterenol
12
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		1990201222.5low106510
isradipine
1
benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester		1990199034.0low001000
staurosporine aglycone
14
1989201726.7low019310
ketoconazole
2
dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine		2009201014.5low100200
ketotifen
1
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist		2008200816.0low000100
khellin
4
furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent		2004202211.5low000211
kojic acid
2
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		2002200620.0low000200
mimosine
1
alpha-amino acid1993199331.0low001000
lansoprazole
1
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		1997199727.0low001000
lauric acid
3
medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
antibacterial agent;
plant metabolite		2003201215.7low000210
lavendustin a
1
aromatic amine1993199331.0low001000
leflunomide
3
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor		2004201216.3low000210
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
26
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		1997201917.6low0071180
malathion
1
diester;
ethyl ester;
organic thiophosphate		202120213.0low000001
edaravone
1
pyrazoloneantioxidant;
radical scavenger		2007200717.0low000100
mebendazole
1
aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator		202220222.0low000001
memantine
2
adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist		201320169.5low000020
vitamin k 3
1
1,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical		201920195.0low000010
meperidine
1
ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic		201920195.0low000010
metaproterenol
2
aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound		1998199925.5low002000
metformin
3
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		201820214.7low000021
methadone
1
benzenes;
diarylmethane;
ketone;
tertiary amino compound		1994199430.0low001000
nocodazole
2
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		2000200720.5low001100
methyl methanesulfonate
1
methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen		1998199826.0low001000
mianserin
1
dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist		1997199727.0low001000
miconazole
1
dichlorobenzene;
ether;
imidazoles		2012201212.0low000010
mitoxantrone
11
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		2004201414.2low000650
ml 7
1
N-sulfonyldiazepane;
organoiodine compound		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor2006200618.0low000100
monodansylcadaverine
1
aminonaphthalene;
primary amino compound;
sulfonamide;
tertiary amino compound		EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor;
fluorochrome;
protective agent		2005200519.0low000100
n-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide
1
naphthalenes;
organochlorine compound;
primary amino compound;
sulfonamide		2008200816.0low000100
ethylmaleimide
7
maleimidesanticoronaviral 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		1991201024.3low005200
neostigmine
1
quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		202120213.0low000001
nifedipine
8
C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent		1995201819.6low003320
niflumic acid
1
aromatic carboxylic acid;
pyridines		1998199826.0low001000
nimodipine
2
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent		1999200124.0low001100
nitrazepam
1
1,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative		201720177.0low000010
nitrendipine
3
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent		1987201025.0low011100
npc 15437
1
2003200321.0low000100
5-nitro-2-(3-phenylpropylamino)benzoic acid
4
nitrobenzoic acid2002201516.2low000310
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
4
aromatic ether;
C-nitro compound;
sulfonamide		antineoplastic agent;
cyclooxygenase 2 inhibitor		2000201219.2low002110
omeprazole
1
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		1997199727.0low001000
oxotremorine m
1
quaternary ammonium ionmuscarinic agonist2009200915.0low000100
oxotremorine
1
N-alkylpyrrolidine2009200915.0low000100
pantoprazole
1
aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic		1997199727.0low001000
pd 169316
2
imidazoles2000200422.0low001100
pd 98059
51
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		1997201919.5low00142890
pentamidine
1
aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic		2009200915.0low000100
pentobarbital
1
barbituratesGABAA receptor agonist1998199826.0low001000
pentoxifylline
1
oxopurine2005200519.0low000100
phenobarbital
1
barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative		2010201014.0low000100
oxophenylarsine
2
arsine oxidesantineoplastic agent;
apoptosis inducer;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor		1989199432.5low011000
phloretin
3
dihydrochalconesantineoplastic agent;
plant metabolite		1988200230.3low011100
o-phthalaldehyde
11
benzaldehydes;
dialdehyde		epitope1987201222.6low014420
moxonidine
1
organohalogen compound;
pyrimidines		2007200717.0low000100
pinacidil
1
pyridines2009200915.0low000100
pioglitazone
4
aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic		2006201911.5low000220
potassium chloride
14
inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer1991201123.8low007610
4-aminobenzoic acid
2
aminobenzoate;
aromatic amino-acid anion		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		2004200818.0low000200
ag 1879
6
aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector		2002201517.0low000510
practolol
1
acetamides;
ethanolamines;
propanolamine;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
beta-adrenergic antagonist		2014201410.0low000010
prazosin
1
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor		2000200024.0low001000
promethazine
1
phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative		1952195272.0low010000
propidium
6
phenanthridines;
quaternary ammonium ion		fluorochrome;
intercalator		1996201918.2low002220
propofol
2
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		1995200723.0low001100
propranolol
11
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		1990200627.3low009200
protoporphyrin ix
3
2004201514.3low000210
pyrilamine
1
aromatic ether;
ethylenediamine derivative		H1-receptor antagonist1991199133.0low001000
rabeprazole
1
benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor		1997199727.0low001000
1,6-bis(cyclohexyloximinocarbonyl)hexane
1
carbamate ester;
organonitrogen compound		2009200915.0low000100
riluzole
1
benzothiazoles2013201311.0low000010
risperidone
1
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		2011201113.0low000010
ro 31-8220
3
imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor1990201225.3low002010
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone
2
methoxybenzenes1988199333.5low011000
rolipram
2
pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor		2012201610.0low000020
aurin
1
diarylmethane1999199925.0low001000
sb 202190
3
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		1999201515.0low001020
sc-10
1
naphthalenes;
sulfonic acid derivative		1996199628.0medium001000
sevoflurane
3
ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor		2007202110.3low000111
sodium fluoride
9
fluoride saltmutagen1995201622.3low007020
stearic acid
6
long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite		1987201925.0low022020
vorinostat
1
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2012201212.0low000010
sulfasalazine
1
2011201113.0low000010
suramin
26
naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug		1996201619.0low0071450
temozolomide
3
imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug		2012201411.0low000030
terbutaline
1
phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent		1990199034.0low001000
terfenadine
1
diarylmethane2009200915.0low000100
tetracaine
1
benzoate ester;
tertiary amino compound		local anaesthetic1994199430.0low001000
tetraethylammonium
1
quaternary ammonium ion2009200915.0low000100
thalidomide
2
phthalimides;
piperidones		2002200520.5low000200
2,4-thiazolidinedione
2
thiazolidenedione2012201311.5low000020
tiopronin
1
N-acyl-amino acid2006200618.0low000100
8-(n,n-diethylamino)octyl-3,4,5-trimethoxybenzoate
3
trihydroxybenzoic acid1997201022.3low002100
trifluoperazine
10
N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug		1988200630.0low026200
troglitazone
1
chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent		2002200222.0low000100
urethane
3
carbamate esterfungal metabolite;
mutagen		2008200915.3low000300
vesnarinone
1
organic molecular entity2002200222.0low000100
vinca
1
alkaloid2012201212.0low000010
w 7
8
1990199830.2low008000
pirinixic acid
2
aryl sulfide;
organochlorine compound;
pyrimidines		2006200717.5low000200
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
1
aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent		2004200420.0low000100
zinc chloride
2
inorganic chloride;
zinc molecular entity		astringent;
disinfectant;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
Lewis acid		2004200818.0low000200
mitomycin
5
mitomycinalkylating agent;
antineoplastic agent		1995201318.6low002120
corticosterone
2
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		1991201123.0low001010
prednisolone
2
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		2000201218.0low001010
sorbitol
1
glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent		1996199628.0low001000
thymidine
19
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite		1972200629.1low039700
hydroxyproline
2
4-hydroxyproline;
L-alpha-amino acid zwitterion		human metabolite;
mouse metabolite;
plant metabolite		2004200519.5low000200
thyroxine
5
2-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone		1972200031.6low014000
carbachol
14
ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic		1988201026.3low017600
spironolactone
2
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic		201620234.5low000011
aldosterone
4
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		1991201619.0low001210
penicillamine
1
non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen		2000200024.0low001000
prednisone
4
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug		2003201216.5low200310
estrone
1
17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite		1974197450.0low010000
dehydroepiandrosterone
2
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite		1974201231.0low010010
pilocarpine
2
pilocarpineantiglaucoma drug201220189.0low000020
triiodothyronine
7
2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone		1972201520.7low012040
diethylnitrosamine
2
nitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen		2001201715.0low000110
carbon tetrachloride
4
chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant		2009201711.5low000220
alanine
14
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		1988201917.9low113550
serine
92
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		1955202224.7low1192527183
desoxycorticosterone acetate
1
corticosteroid hormone202020204.0low000010
aspartic acid
7
aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter		1988201225.1low021310
glutamine
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		1977202125.0low010001
lysine
4
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		2000201515.5low001210
cyanides
1
pseudohalide anionEC 1.9.3.1 (cytochrome c oxidase) inhibitor1987198737.0low010000
sucrose
5
glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent		2005202113.6low000401
ethinyl estradiol
1
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen2012201212.0low000010
9,10-dimethyl-1,2-benzanthracene
2
ortho-fused polycyclic arene;
tetraphenes		carcinogenic agent1992199431.0low002000
adenosine diphosphate
15
adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite		1987201724.1low017610
uridine
1
uridinesdrug metabolite;
fundamental metabolite;
human metabolite		1975197549.0low010000
uridine diphosphate
3
pyrimidine ribonucleoside 5'-diphosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite		1996200722.0low001200
bromodeoxyuridine
8
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		1999201318.5low001610
galactose
58
D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite		1971200644.7low04510300
carbostyril
17
monohydroxyquinoline;
quinolone		bacterial xenobiotic metabolite2007201912.6low0006110
phenylephrine
14
phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent		1989201920.1low015440
levodopa
6
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		1993200424.7low002400
edetic acid
9
ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector		1973201526.1low023220
p-dimethylaminoazobenzene
1
azobenzenes1983198341.0low010000
tyrosine
34
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		1991202220.7low00131641
cysteamine
1
amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent		2005200519.0low000100
phlorhizin
1
aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite		1978197846.0low010000
adenosine monophosphate
2
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		1990201621.0low001010
4-deoxypyridoxine
2
hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine		metabolite2005201613.5low000110
methylene blue
1
organic chloride saltacid-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		1998199826.0low001000
leucine
9
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		1975201226.6low024210
methacholine chloride
5
quaternary ammonium salt1991201324.8low004010
dimethylnitrosamine
1
nitrosaminegeroprotector;
mutagen		2009200915.0low000100
androstenedione
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		2002200222.0low000100
uridine triphosphate
5
pyrimidine ribonucleoside 5'-triphosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite		1995201619.8low003020
lactose
6
lactose1953201839.8low040020
methionine
8
aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical		1989201721.2low012320
1,2-dipalmitoylphosphatidylcholine
6
1989201520.2low011310
phenylalanine
3
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		1999200423.0low002100
desoxycorticosterone
2
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite		2008200915.5low000200
colchicine
1
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2001200123.0low000100
cytidine
1
cytidinesEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1973197351.0low010000
cytidine triphosphate
1
cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite		1997199727.0low001000
cycloheximide
19
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		1989201327.2low0214120
egtazic acid
38
diether;
tertiary amino compound;
tetracarboxylic acid		chelator1990201125.2low00271010
chloroform
7
chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant		1973201229.7low030310
cycloserine
11
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist		1989201222.7low014420
mannitol
2
mannitolallergen;
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		1992199431.0low002000
cytarabine
2
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		1998201517.5low001010
ornithine
1
non-proteinogenic L-alpha-amino acid;
ornithine		algal metabolite;
hepatoprotective agent;
mouse metabolite		201920195.0low000010
dinitrofluorobenzene
1
C-nitro compound;
organofluorine compound		agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent		1989198935.0low010000
asparagine
4
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		1977200528.2low011200
histidine
5
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		2000200920.0low001400
valine
3
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		201020228.0low000111
threonine
6
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		1995201719.5low001410
tryptophan
8
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		1972202214.6low011132
isoleucine
2
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		2010201511.5low000110
arginine
5
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2000202211.0low001031
ethylene
5
alkene;
gas molecular entity		plant hormone;
refrigerant		2004201315.2low000230
acetylene
1
alkyne;
gas molecular entity;
terminal acetylenic compound		2010201014.0low000100
ethylene oxide
2
gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen		2004201315.5low000110
tert-butylhydroperoxide
2
alkyl hydroperoxideantibacterial agent;
oxidising agent		2001200222.5low000200
trichloroacetic acid
1
monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite		201920195.0low000010
quinic acid
1
2013201311.0low000010
acrylamide
1
acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin		201820186.0low000010
acrylic acid
2
alpha,beta-unsaturated monocarboxylic acidmetabolite2002200719.5low000200
methyl acetate
1
acetate ester;
methyl ester;
volatile organic compound		EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
fragrance;
polar aprotic solvent		1954195470.0low010000
taurocholic acid
4
amino sulfonic acid;
bile acid taurine conjugate		human metabolite1973201240.5low030010
methylprednisolone
7
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		2002201913.6low100340
rotenone
5
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin		1996201419.6low001310
1-nitronaphthalene
1
mononitronaphthaleneenvironmental contaminant;
mouse metabolite		2014201410.0low000010
2,4-dinitrobenzenesulfonic acid
1
arenesulfonic acid;
C-nitro compound		2004200420.0low000100
salicylaldehyde
1
hydroxybenzaldehydenematicide;
plant metabolite		202020204.0low000010
1-naphthol
1
naphtholgenotoxin;
human xenobiotic metabolite		2013201311.0low000010
quinoxalines
4
mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene		1993200026.5low004000
2-naphthylamine
1
naphthylaminecarcinogenic agent2013201311.0low000010
xanthenes
4
xanthene2002201116.0low000310
4-butyrolactone
1
butan-4-olidemetabolite;
neurotoxin		1993199331.0low001000
pyrrolidonecarboxylic acid
3
5-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite201720215.7low000021
benzoyl chloride
1
acyl chloride;
benzenes		carcinogenic agent2014201410.0low000010
trehalose
1
trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2002200222.0low000100
sym-trinitrobenzene
1
trinitrobenzeneexplosive2014201410.0low000010
4-bromophenacyl bromide
1
2000200024.0low001000
2-diethylaminoethanol
1
ethanolamines;
primary alcohol;
tertiary amino compound		2002200222.0low000100
benzylamine
1
aralkylamine;
primary amine		allergen;
EC 3.5.5.1 (nitrilase) inhibitor;
plant metabolite		2005200519.0low000100
phenylhydrazine
2
phenylhydrazinesxenobiotic2008200816.0low000200
pyridostigmine bromide
1
pyridinium salt2013201311.0low000010
acrolein
1
enalherbicide;
human xenobiotic metabolite;
toxin		2014201410.0low000010
allyl chloride
1
organochlorine compound202220222.0low000001
allylamine
1
alkylamine1990199034.0low001000
allyl alcohol
2
primary allylic alcohol;
propenol		antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite		201520159.0low000020
2-methylpentane
1
alkane2004200420.0low000100
acetic anhydride
3
acyclic carboxylic anhydridemetabolite;
reagent		1994199928.0low003000
cyclohexanol
2
cyclohexanols;
secondary alcohol		solvent2006200817.0low000200
vinyl ether
1
ether201620168.0low000010
pyrroles
16
pyrrole;
secondary amine		1999201714.8low101870
tetrahydrofuran
2
cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound		polar aprotic solvent2006201016.0low000200
thiophenes
62
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent1999202213.2low00229292
piperidine
2
azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine		base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent		2009201412.5low000110
heptanol
1
heptanol;
primary alcohol		flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite		2007200717.0low000100
octylamine
3
primary aliphatic aminemetabolite1986200228.7low011100
tetraethylenepentamine
1
polyazaalkanecopper chelator202220222.0low000001
behenic acid
2
long-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite1999202014.5low001010
framycetin
6
aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite		1988200429.8low014100
isoquinoline
1
azaarene;
isoquinolines;
mancude organic heterobicyclic parent;
ortho-fused heteroarene		1993199331.0low001000
pyrazolanthrone
8
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		2003201912.8low000260
meglumine
1
hexosamine;
secondary amino compound		1989198935.0low010000
uridine diphosphate glucose
2
UDP-D-glucosefundamental metabolite1978200035.0low011000
1-naphthylamine
1
naphthylaminehuman xenobiotic metabolite2014201410.0low000010
2-naphthol
1
naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger		2013201311.0low000010
pregnenolone
2
20-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid		human metabolite;
mouse metabolite		2010201113.5low000110
1,2-dihydroxybenzene-3,5-disulfonic acid disodium salt
2
organic molecular entity2001201317.0low000110
potassium cyanide
1
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		2003200321.0low000100
catechin
6
catechinantioxidant;
plant metabolite		2009201512.2low000240
phthalazine
1
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
phthalazines		2010201014.0low000100
quinazolines
13
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines		1997201518.3low004630
indazoles
2
indazole2004200917.5low000200
benzoxazoles
1
1,3-benzoxazoles;
mancude organic heterobicyclic parent		1996199628.0low001000
adamantane
10
adamantanes;
polycyclic alkane		201020209.5low000190
cyclopentane
14
cycloalkane;
cyclopentanes;
volatile organic compound		non-polar solvent1990202015.6low004370
isoxazoles
10
isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		2004201613.0low000550
oxazoles
14
1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		1972201419.7low012560
thiazoles
45
1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		1989202315.5low01518201
pyrimidine
1
diazine;
pyrimidines		Daphnia magna metabolite2001200123.0low000100
pyrazines
4
diazine;
pyrazines		Daphnia magna metabolite2002202110.8low000121
muscarine
1
monosaccharide2002200222.0low000100
hydrazine
4
azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor1972201436.2low021010
hemicholinium 3
1
1998199826.0low001000
evans blue
1
organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent		2006200618.0low000100
monocrotaline
5
pyrrolizidine alkaloid2001202115.4low000311
azacitidine
4
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent1998201714.2low001120
methysergide
1
ergoline alkaloid2009200915.0low000100
kynuramine
1
kynurenamines;
primary amino compound		metabolite201720177.0low000010
cuprizone
5
organonitrogen compound;
organooxygen compound		2011201511.0low000050
citrulline
1
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		2001200123.0low000100
betamethasone
4
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent		1996201315.8low001030
lithocholic acid
2
bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite		1994202216.0low001001
chenodeoxycholic acid
1
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite		1994199430.0low001000
glycocholic acid
2
bile acid glycine conjugatehuman metabolite2012201610.0low000020
fusarium
27
1973201623.0low0111960
phosphoadenosine phosphosulfate
1
acyl sulfate;
adenosine bisphosphate;
purine ribonucleoside bisphosphate		Escherichia coli metabolite;
mouse metabolite		1995199529.0low001000
osthol
1
botanical anti-fungal agent;
coumarins		metabolite202020204.0low000010
bicuculline
2
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin		1991200625.5low001100
kainic acid
3
dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist		1994200523.3low001200
thymoquinone
1
1,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite		201620168.0low000010
phenylpropanolamine
1
amphetamines;
phenethylamine alkaloid		plant metabolite2003200321.0low000100
butenolide
1
butenolide1993199331.0low001000
alpha-aminopyridine
1
201520159.0low000010
thiazolidines
14
thiazolidine2006201911.8low000680
oleanolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite2012201212.0low000010
hesperidin
2
3'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen201920223.5low000011
dihydrotestosterone
2
17beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite		1994201121.5low001010
malondialdehyde
6
dialdehydebiomarker2001202112.2low000321
myristic acid
8
long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite		1990201720.9low003230
n-hexadecane
1
long-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component		1998199826.0low001000
trinitrobenzenesulfonic acid
3
arenesulfonic acid;
C-nitro compound		epitope;
explosive;
reagent		1987201719.0low010020
eosine yellowish-(ys)
1
organic sodium salt;
organobromine compound		fluorochrome;
histological dye		2007200717.0low000100
resazurin
1
phenoxazine2009200915.0low000100
lithium carbonate
1
carbonate salt;
lithium salt		antimanic drug2004200420.0low000100
lignoceric acid
6
straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component		1948202033.8low022110
glycerylphosphorylcholine
5
glycerophosphocholine1972201532.0low021110
alpha-hydroxy-gamma-methylmercaptobutyric acid
1
thia fatty acid2012201212.0low000010
toluene 2,4-diisocyanate
1
toluene meta-diisocyanateallergen;
hapten		2009200915.0low000100
2-hydroxyphenylacetic acid
1
hydroxy monocarboxylic acid;
phenols		human metabolite;
mouse metabolite		1993199331.0low001000
acetylcysteine
10
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		1999201517.2low002530
c.i. 42510
1
2010201014.0low000100
glycochenodeoxycholic acid
1
bile acid glycine conjugatehuman metabolite2013201311.0low000010
homoserine
2
amino acid zwitterion;
homoserine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite		2009201711.0low000110
ethylnitrosourea
1
N-nitrosoureasalkylating agent;
carcinogenic agent;
genotoxin;
mutagen		2009200915.0low000100
levonorgestrel
1
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive		2012201212.0low000010
dodecylamine
1
primary aliphatic amine2010201014.0low000100
deoxycytidine
1
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2009200915.0low000100
deoxyuridine
1
pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2011201113.0low000010
cytidine diphosphate choline
3
nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite		1976198543.7low030000
rhodamine 6g
1
2009200915.0low000100
ethambutol
2
ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic		201620234.5low000011
tetradecyltrimethylammonium
1
1995199529.0low001000
3,3',4',5-tetrachlorosalicylanilide
1
dichlorobenzene;
salicylanilides		drug allergen1996199628.0low001000
durapatite
3
1994201516.0low001020
potassium hydroxide
1
alkali metal hydroxide2001200123.0low000100
sodium hydroxide
2
alkali metal hydroxide1973200435.5low010100
arsenic trioxide
1
2007200717.0low000100
vancomycin
1
glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite		1992199232.0low001000
glycyrrhizic acid
3
enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin		EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite		2008201412.3low000120
d-alpha tocopherol
5
alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite		201220237.8low000041
stearylamine
15
primary aliphatic aminefilm-forming compound1986200331.5low0410100
paraquat
4
organic cationgeroprotector;
herbicide		2006201911.8low000220
pristane
1
long-chain alkane;
norterpene		biomarker;
immunological adjuvant		201920195.0low000010
s,n,n'-tripropylthiocarbamate
1
tertiary amine201720177.0low000010
dronabinol
5
benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic		1998201022.8low004100
amiloride
11
aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker		1988199932.4low056000
4,4'-dichlorobiphenyl
1
dichlorobiphenyl;
monochlorobenzenes		2001200123.0low000100
diallyl trisulfide
1
organic trisulfideanti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
antioxidant;
antiprotozoal drug;
apoptosis inducer;
estrogen receptor antagonist;
insecticide;
platelet aggregation inhibitor;
vasodilator agent		202320231.0low000001
azetidyl-2-carboxylic acid
1
azetidine-2-carboxylic acid1995199529.0low001000
flumethasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug2009200915.0low000100
phenethyl isothiocyanate
1
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite		2000200024.0low001000
fluorescein
5
2-benzofurans;
gamma-lactone;
organic heteropentacyclic compound;
oxaspiro compound;
polyphenol;
xanthene dye		fluorescent dye;
radioopaque medium		2001201913.6low000230
fucose
13
fucopyranose;
L-fucose		Escherichia coli metabolite;
mouse metabolite		1971198646.8low0130000
tetrapentylammonium
1
quaternary ammonium ion1995199529.0low001000
pentadecanal
2
2,3-saturated fatty aldehyde;
long-chain fatty aldehyde		antimicrobial agent;
plant metabolite;
volatile oil component		2006201215.0high000110
uridine diphosphate galactose
2
UDP-D-galactosemouse metabolite1980199536.5low011000
fluorescein-5-isothiocyanate
5
fluorescein isothiocyanate1991200225.2low003200
sabinene
1
thujeneplant metabolite2002200222.0low000100
mannose
9
D-aldohexose;
D-mannose;
mannopyranose		metabolite1971200340.3low070200
dithiothreitol
1
1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent		1999199925.0low001000
streptomycin
1
antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor		1990199034.0low001000
carbonates
2
carbon oxoanion201020199.5low000110
dideoxyadenosine
1
adenosines;
purine 2',3'-dideoxyribonucleoside		EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor		2002200222.0low000100
cladribine
28
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		2007201313.8low00017110
buthionine sulfoximine
2
diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide		EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer		2002200719.5low000200
raspberry ketone
1
methyl ketone;
phenols		androgen antagonist;
cosmetic;
flavouring agent;
fragrance;
hepatoprotective agent;
metabolite		202320231.0low000001
vidarabine
1
beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic		1999199925.0low001000
diadenosine tetraphosphate
1
diadenosyl tetraphosphateEscherichia coli metabolite;
mouse metabolite		1999199925.0low001000
n-methylaspartate
11
amino dicarboxylic acid;
D-alpha-amino acid;
D-aspartic acid derivative;
secondary amino compound		neurotransmitter agent1988202126.2low026021
lanthanum
5
f-block element atom;
lanthanoid atom;
scandium group element atom		2003201315.6low000320
manganese
15
elemental manganese;
manganese group element atom		Escherichia coli metabolite;
micronutrient		1972202133.3low066201
mercury
1
elemental mercury;
zinc group element atom		neurotoxin1974197450.0low010000
molybdenum
1
chromium group element atommicronutrient1971197153.0low010000
osmium
1
iron group element atom;
platinum group metal atom		2007200717.0low000100
palladium
5
metal allergen;
nickel group element atom;
platinum group metal atom		2007201214.2low000320
platinum
1
elemental platinum;
nickel group element atom;
platinum group metal atom		202020204.0low000010
rhodium
1
cobalt group element atom2007200717.0low000100
ruthenium
1
iron group element atom;
platinum group metal atom		2009200915.0low000100
silver
2
copper group element atom;
elemental silver		Escherichia coli metabolite1973197450.5low020000
titanium
3
titanium group element atom201620205.7low000030
cadmium
2
cadmium molecular entity;
zinc group element atom		200920219.0low000101
cerium
1
f-block element atom;
lanthanoid atom		2010201014.0low000100
chromium
1
chromium group element atom;
metal allergen		micronutrient1974197450.0low010000
gadolinium
11
f-block element atom;
lanthanoid atom		2003201813.9low300650
gold
1
copper group element atom;
elemental gold		202120213.0low000001
vanadium
1
elemental vanadium;
vanadium group element atom		micronutrient1993199331.0low001000
yttrium
1
d-block element atom;
rare earth metal atom;
scandium group element atom		201620168.0low000010
cupric chloride
1
copper molecular entity;
inorganic chloride		EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor2014201410.0low000010
mercuric chloride
1
mercury coordination entitysensitiser2005200519.0low000100
acetylglucosamine
4
N-acetyl-D-glucosamineepitope1980202217.5low010102
galactosamine
11
D-galactosamine;
primary amino compound		toxin1972201640.3low090020
camptothecin
8
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		1998201717.2low001520
ferric chloride
1
iron coordination entityastringent;
Lewis acid		201720177.0low000010
nickel chloride
1
nickel coordination entitycalcium channel blocker;
hapten		2010201014.0low000100
ferrous sulfate
1
iron molecular entity;
metal sulfate		reducing agent2009200915.0low000100
sodium pyrophosphate
1
inorganic sodium saltchelator;
food emulsifier;
food thickening agent		1995199529.0low001000
bromine
1
diatomic bromine2009200915.0low000100
sodium sulfate
1
inorganic sodium salt2010201014.0low000100
tricalcium phosphate
1
calcium phosphate201920195.0low000010
deuterium
16
dihydrogen1971202027.3low062260
chlorine
3
diatomic chlorine;
gas molecular entity		bleaching agent2002201217.0low000210
ethinyl estradiol-norgestrel combination
1
2012201212.0low000010
galactose
16
1972198948.4low0160000
poloxalene
1
epoxide201620168.0low000010
ozone
2
elemental molecule;
gas molecular entity;
reactive oxygen species;
triatomic oxygen		antiseptic drug;
disinfectant;
electrophilic reagent;
greenhouse gas;
mutagen;
oxidising agent;
tracer		1973201530.0low010010
ammonium ferric sulfate
1
ammonium salt;
iron molecular entity;
metal sulfate		ferroptosis inducer1998199826.0low001000
cadmium chloride
2
cadmium coordination entity2010201014.0low000200
4-chloro-7-nitrobenzofurazan
7
benzoxadiazole;
C-nitro compound;
organochlorine compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor;
fluorescent probe;
fluorochrome		1992201421.3low003220
trolamine salicylate
5
2009202110.2low000311
ammonium chloride
4
ammonium salt;
inorganic chloride		ferroptosis inhibitor1995201023.5low003100
2,2'-dichlorobiphenyl
1
2001200123.0low000100
titanium dioxide
2
titanium oxidesfood colouring201620196.5low000020
tiletamine hydrochloride
1
2009200915.0low000100
cromolyn sodium
2
organic sodium saltanti-asthmatic drug;
drug allergen		1997201617.5low001010
4-nitrobenzofurazan
1
2006200618.0low000100
tetradecanoylphorbol acetate
286
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		1986201929.1low05219133100
fluorides
6
halide anion;
monoatomic fluorine		1989201621.3low012120
1-deoxynojirimycin
6
2-(hydroxymethyl)piperidine-3,4,5-triol;
piperidine alkaloid		anti-HIV agent;
anti-obesity agent;
bacterial metabolite;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
hepatoprotective agent;
hypoglycemic agent;
plant metabolite		1987202019.7low011130
iodine
4
halide anion;
monoatomic iodine		human metabolite1972201520.8low010030
daunorubicin
14
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite		1992200823.9low009500
phosphotyrosine
14
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine		Escherichia coli metabolite;
immunogen		1993201523.9low009410
phenyl acetate
22
benzenes;
phenyl acetates		1953202041.0low0143320
cetylpyridinium chloride anhydrous
4
chloride salt;
organic chloride salt		antiseptic drug;
surfactant		2007200915.8low000400
pyrrolidine
1
azacycloalkane;
pyrrolidines;
saturated organic heteromonocyclic parent		202120213.0low000001
triamcinolone
2
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		1997201319.0low001010
fludrocortisone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
fluorinated steroid;
mineralocorticoid		adrenergic agent;
anti-inflammatory drug		2009200915.0low000100
ursodeoxycholic acid
1
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite		1997199727.0low001000
pyrene
1
ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant		2013201311.0low000010
4-methoxyamphetamine
1
201820186.0low000010
8-bromo cyclic adenosine monophosphate
11
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound		antidepressant;
protein kinase agonist		1988200729.3low018200
transferrin
1
2012201212.0low000010
alkenes
10
1971201522.6low020620
glutamic acid
26
glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical		1988202119.0low0261071
glucaric acid
1
glucaric acidantineoplastic agent2009200915.0low000100
azoxymethane
5
2006202012.0low000320
sodium azide
1
inorganic sodium saltantibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen		2010201014.0low000100
azides
6
pseudohalide anionmitochondrial respiratory-chain inhibitor1978202121.5low011301
timolol
1
timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist		2013201311.0low000010
nigericin
1
polycyclic etherantibacterial agent;
antimicrobial agent;
bacterial metabolite;
potassium ionophore		1997199727.0low001000
s-adenosylmethionine
4
sulfonium betainehuman metabolite201020208.2low000130
acetylgalactosamine
1
N-acetyl-D-hexosamine;
N-acetylgalactosamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite		1995199529.0low001000
paclitaxel
7
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		1999201515.1low001330
etoposide
21
beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor		1994201919.2low0061050
substance p
2
peptideneurokinin-1 receptor agonist;
neurotransmitter;
vasodilator agent		2002200321.5low000200
2,4,5,2',4',5'-hexachlorobiphenyl
1
hexachlorobiphenyl201720177.0low000010
3-fluoroalanine
2
1993200127.0medium001100
phorbol 12,13-dibutyrate
57
butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone		1986200331.2low01142400
bezafibrate
1
aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic		2010201014.0low000100
diltiazem
2
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent		2008200816.0low100200
1-methyl-4-phenylpyridinium
1
pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin		2014201410.0low000010
ng-nitroarginine methyl ester
14
alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor1996201917.3low001850
moniliformin
1
1993199331.0low001000
quisqualic acid
3
non-proteinogenic alpha-amino acid1988199931.3low012000
pirfenidone
1
pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2007200717.0low000100
1-carboxyglutamic acid
2
1988201025.0low010100
epirubicin
1
aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		2011201113.0low000010
desflurane
1
organofluorine compoundinhalation anaesthetic1998199826.0low001000
enkephalin, methionine
1
1995199529.0low001000
idarubicin
1
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative		201520159.0low000010
propiconazole
2
conazole fungicide;
cyclic ketal;
dichlorobenzene;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
environmental contaminant;
xenobiotic		201620187.0low000020
paroxetine
2
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor		201220189.0low000020
ethylcholine aziridinium
1
2007200717.0low000100
oltipraz
2
1,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug		201920214.0low000011
arsenobetaine
1
organic salt202220222.0low000001
colforsin
29
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		1988201225.1low01171010
fomesafen
2
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-sulfonylcarboxamide;
organofluorine compound;
phenols		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide		201320188.5low000020
miglustat
2
piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor		2004201216.0low000110
swainsonine
1
indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite		1990199034.0low001000
lovastatin
2
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug		1998201517.5low001010
bm 13505
1
2000200024.0low001000
simvastatin
5
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		2007201813.4low000320
ilmofosine
1
1998199826.0low001000
mifepristone
1
3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive		2010201014.0low000100
gusperimus
4
N-acyl-amino acid1999200422.8low001300
fura-2
19
1988200727.2low0114400
imiquimod
2
imidazoquinolineantineoplastic agent;
interferon inducer		201320198.0low000020
adapalene
1
adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug		2008200816.0low000100
topotecan
1
pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		2013201311.0low000010
gemcitabine
1
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		2009200915.0low000100
temoporfin
1
2012201212.0low000010
atorvastatin
3
aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic		2004201914.0low000210
irinotecan
3
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		2003200917.3low000300
adenosine
16
adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent		1991202020.1low007720
pyranine
1
organic sodium saltfluorochrome1999199925.0low001000
gadolinium chloride
1
gadolinium coordination entityTRP channel blocker2007200717.0low000100
4-propionyloxy-4-phenyl-n-methylpiperidine
1
201920195.0low000010
vanadates
15
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		1991202219.1low005631
edda
1
amino dicarboxylic acid;
ethylenediamine derivative;
glycine derivative;
polyamino carboxylic acid		bacterial xenobiotic metabolite;
chelator		2003200321.0low000100
scarlet red
1
azobenzenes;
bis(azo) compound;
naphthols		carcinogenic agent;
fluorochrome;
histological dye		2012201212.0low000010
acridine orange
4
aminoacridines;
aromatic amine;
tertiary amino compound		fluorochrome;
histological dye		1993200921.2low001300
eramide
1
2014201410.0medium000010
octyl glucoside
3
beta-D-glucosideplant metabolite1993199828.7low003000
trazodone hydrochloride
6
hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor		1973201228.5low020220
glucose, (beta-d)-isomer
21
D-glucopyranoseepitope;
mouse metabolite		1975202127.0low077061
glucose, (beta-d)-isomer
20
D-glucopyranoseepitope;
mouse metabolite		1975202128.2low077051
mevastatin
1
2-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite		201520159.0low000010
lanthanum chloride
2
2010201312.5low000110
2',7'-dichlorofluorescein
1
2-benzofuransfluorochrome2003200321.0low000100
ursolic acid
1
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite		2012201212.0low000010
thiazolyl blue
8
organic bromide saltcolorimetric reagent;
dye		1995200820.6low002600
plerixafor
5
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		2010201412.0low000140
oseltamivir
2
acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic		201120208.5low000020
epigallocatechin gallate
6
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		2009201512.2low000240
n-acetylaspartic acid
1
N-acetyl-L-amino acid;
N-acyl-L-aspartic acid		antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite		2012201212.0low000010
cholesteryl sulfate
5
steroid sulfatehuman metabolite1993201122.6low003110
25-hydroxycholesterol
3
25-hydroxy steroid;
oxysterol		human metabolite1995202020.7low002010
phosphoramidic acid
1
phosphoric acid derivative1994199430.0low001000
1,2-distearoyllecithin
1
2014201410.0low000010
metaperiodate
8
iodine oxoacid1969200147.1low070100
lissamine rhodamine b
1
201520159.0low000010
pyrrolidine dithiocarbamate
1
dithiocarbamic acids;
pyrrolidines		anticonvulsant;
antineoplastic agent;
geroprotector;
neuroprotective agent;
NF-kappaB inhibitor;
radical scavenger		2004200420.0low000100
peroxynitric acid
1
nitrogen oxoacid1997199727.0low001000
aloxistatin
1
epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor		1998199826.0low001000
web 2086
2
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		1999200124.0low001100
terikalant
1
piperidines2000200024.0low001000
telmisartan
2
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		201020199.5low000110
methacycline
10
1,2-diglyceride1990201723.0low006220
1,7-phenanthroline
2
phenanthroline1994200027.0low002000
triazoles
10
1,2,3-triazole1999201912.1low001180
delphinidin
1
anthocyanidin chloride1973197351.0low010000
serinol
1
201620168.0low000010
artemisinin
1
organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite		2003200321.0low000100
fructose-6-phosphate
1
D-fructose 6-phosphate2011201113.0low000010
n-methylscopolamine
1
2000200024.0low001000
cromakalim
1
2003200321.0low000100
masoprocol
3
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite		1989200028.7low012000
diflorasone
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug2013201311.0low000010
hesperetin
1
3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite		202220222.0low000001
phorbol-12,13-diacetate
3
1991199631.3low003000
phorbol-12,13-dibenzoate
1
1991199133.0low001000
leupeptin
3
aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor		1992201123.3low002010
squalamine
1
bile acid2011201113.0low000010
tosyllysine chloromethyl ketone
1
sulfonic acid derivative2003200321.0low000100
calpeptin
1
amino acid amide2007200717.0low000100
maslinic acid
1
dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite		2012201212.0low000010
oxazolidin-2-one
1
carbamate ester;
oxazolidinone		metabolite201520159.0low000010
2-(methylamino)isobutyric acid
1
alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound		human urinary metabolite1988198836.0low010000
rivastigmine
1
carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent		202120213.0low000001
2-bromopalmitate
1
2-bromocarboxylic acid;
bromo fatty acid;
long-chain fatty acid;
straight-chain fatty acid		fatty acid oxidation inhibitor2002200222.0low000100
tetramethrin
1
cyclopropanecarboxylate ester;
maleimides;
phthalimide insecticide		pyrethroid ester insecticide1990199034.0low001000
ketorolac tromethamine
1
organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor		2013201311.0low000010
s-methyl benzo(1,2,3)thiadiazole-7-carbothioate
1
benzothiadiazole;
thioester		antifungal agrochemical;
plant activator;
profungicide		2002200222.0low000100
we 201
1
2004200420.0low000100
stearoyl alpha-lysolecithin
1
2002200222.0low000100
coenzyme a
13
adenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite		1971200149.0low0120100
1-palmitoyl-lysophosphatidic acid
2
2-lysophosphatidic acid1994199927.5medium002000
nicotine
3
3-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic		1992201523.7low002010
bay 93820
1
isopropyl ester;
organic phosphonate;
organothiophosphate insecticide;
phosphonic ester;
salicylates		agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor		202120213.0low000001
fibrinogen
4
iditolfungal metabolite1992200626.0low003100
17-alpha-hydroxypregnenolone
1
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
hydroxypregnenolone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		201720177.0low000010
7-ketocholesterol
2
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
7-oxo steroid;
cholestanoid		neuroprotective agent202020204.0low000020
homocysteine
2
amino acid zwitterion;
homocysteine;
serine family amino acid		fundamental metabolite;
mouse metabolite		201320179.0low000020
alpha,beta-methyleneadenosine 5'-triphosphate
1
nucleoside triphosphate analogue2000200024.0low001000
2-methylhistamine
1
aralkylamino compound;
imidazoles		histamine agonist;
metabolite		1991199133.0low001000
8-((4-chlorophenyl)thio)cyclic-3',5'-amp
1
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
aryl sulfide;
organochlorine compound		protein kinase agonist1998199826.0low001000
4-n,n-dimethylaminoazobenzene-4'-sulfonyl chloride
1
1983198341.0low010000
2-hydroxyhexadecanoic acid
2
2-hydroxy fatty acid;
hydroxypalmitic acid		human metabolite1988201423.0high010010
glycidyl nitrate
4
1973202126.5low020011
stearoyl-coenzyme a
3
11,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA		Escherichia coli metabolite;
mouse metabolite		1997200025.7low003000
erythrose
1
erythroseplant metabolite202320231.0low000001
glucuronic acid
3
D-glucuronic acidalgal metabolite201520187.3low000030
2,3-naphthalenedicarboxaldehyde
3
2002200918.7low000300
diosgenin
1
3beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite		2014201410.0low000010
phorbolol myristate acetate
4
2005201116.2low000310
8-chloro-cyclic adenosine monophosphate
1
1991199133.0low001000
cerebronic acid
1
2-hydroxy fatty acid;
straight-chain fatty acid;
very long-chain fatty acid		1977197747.0medium010000
cobalt
2
cobalt group element atom;
metal allergen		micronutrient2008201512.5low000110
p-methoxy-n-methylphenethylamine
2
aromatic ether;
secondary amino compound		metabolite1990201024.0low001100
fulvestrant
2
17beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist		2011201411.5low000020
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid
10
polyamino carboxylic acid;
tetracarboxylic acid		chelator1990201024.1low006400
mizoribine
2
imidazolesanticoronaviral agent2000200621.0low001100
1-amino-1,3-dicarboxycyclopentane
1
1991199133.0low001000
chlorates
1
chlorine oxoanion;
monovalent inorganic anion		2004200420.0low000100
u 73122
28
aromatic ether;
aza-steroid;
maleimides		EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor1993201920.2low00121330
arginyl-glycyl-aspartic acid
4
oligopeptide1999200820.8low001300
copper
1
copper cation;
monoatomic monocation		cofactor2002200222.0low000100
vitamin b 6
4
200520219.2low000121
cremophor el
1
1996199628.0low001000
quin2
3
1987199035.3low021000
sr141716
2
amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist		1999200621.5low001100
bosentan anhydrous
1
primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist		1998199826.0low001000
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole
1
ether;
imidazoles;
monomethoxybenzene		TRP channel blocker2000200024.0low001000
fluo-3
3
xanthene dyefluorochrome2002201116.3low000210
laurdan
1
2013201311.0low000010
indolactam v
1
indoles2005200519.0low000100
paxilline
17
diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		1994201820.6low007820
prolinedithiocarbamate
2
2006201215.0low000110
artesunic acid
1
2011201113.0low000010
indo-1
1
indolesfluorochrome1997199727.0low001000
pregnenolone sulfate
2
steroid sulfateEC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite		2010201113.5low000110
beta-n-methylamino-l-alanine
1
diamino acid;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
secondary amino compound		bacterial metabolite;
neurotoxin		201520159.0low000010
fura-2-am
4
1993200228.2low003100
3-((3-cholamidopropyl)dimethylammonium)-1-propanesulfonate
1
1,1-diunsubstituted alkanesulfonate201820186.0low000010
inositol 1-phosphate
1
1999199925.0low001000
1,1-dimethylheptyl-11-hydroxytetrahydrocannabinol
1
2010201014.0low000100
6-hydroxydopa
1
non-proteinogenic alpha-amino acid1993199331.0low001000
hypotaurine
1
aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite		2009200915.0low000100
geniposide
3
terpene glycoside201920214.0low000021
phorbol-12-myristate
1
2011201113.0low000010
procyanidin
1
proanthocyanidin202120213.0low000001
fingolimod hydrochloride
1,352
hydrochlorideimmunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist		1996202314.1high8008554668833
triptolide
2
diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite		201120208.5low000020
s-nitrosomercaptoethanol
1
2001200123.0low000100
2-acetyl-4(5)-tetrahydroxybutylimidazole
7
2005201613.0medium000340
ml 9
1
1990199034.0low001000
selenodiglutathione
1
glutathione derivative;
thioselenide		Escherichia coli metabolite;
metabolite		202120213.0low000001
1-hexadecyl-2-acetyl-glycero-3-phosphocholine
35
2-acetyl-1-alkyl-sn-glycero-3-phosphocholineantihypertensive agent;
beta-adrenergic antagonist;
bronchoconstrictor agent;
hematologic agent;
vasodilator agent		1987201625.6low06151220
deoxyglucose
11
1986201626.7low036020
1-phenyl-2-decanoylamino-3-morpholino-1-propanol
20
1981201124.1low019910
u 73343
1
2000200024.0low001000
thromboxanes
2
2000201118.5low001010
dihydro-dids
1
201720177.0low000010
3'-o-(4-benzoyl)benzoyladenosine 5'-triphosphate
2
purine ribonucleoside triphosphate2000201118.5low001010
asiatic acid
1
monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite		2012201212.0low000010
silicon phthalocyanine pc4
2
2001201217.5low000110
sr 33557
1
1991199133.0low001000
aminopentol
5
1998200225.0high004100
caprylates
3
fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite		2004201413.7low000120
y 26763
1
1-benzopyran2008200816.0low000100
ezogabine
1
carbamate ester;
organofluorine compound;
secondary amino compound;
substituted aniline		anticonvulsant;
potassium channel modulator		2012201212.0low000010
phytosphingosine
236
amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite		1964202316.2high21332898220
gadolinium 1,4,7,10-tetraazacyclododecane-n,n',n'',n'''-tetraacetate
1
2004200420.0low000100
peroxynitrous acid
1
nitrogen oxoacid2011201113.0low000010
imatinib mesylate
6
methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		2007201713.7low000330
rhod-2
1
2000200024.0low001000
3-deoxyglycero-galacto-nonulosonic acid
1
L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo1995199529.0low001000
glycyl-arginyl-glycyl-aspartyl-serine
1
1995199529.0low001000
n,n-dimethylarginine
2
dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor2013201510.0low000020
cyclic adp-ribose
1
cyclic purine nucleotide;
nucleotide-sugar		metabolite;
ryanodine receptor agonist		2003200321.0low000100
glycerophosphoethanolamine
1
phosphoethanolamine;
sn-glycerol 3-phosphates		1994199430.0low001000
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
5
dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols		eukaryotic metabolite;
signalling molecule		2001200520.4low000500
naadp
3
nicotinic acid dinucleotidecalcium channel agonist;
metabolite;
signalling molecule		2003201514.3low000120
27-hydroxycholesterol
2
26-hydroxycholesterolapoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent		201020209.0low000110
galactosylhydroxylysine
1
5-glycosyloxy-L-lysine1978197846.0low010000
glabridin
1
hydroxyisoflavansantiplasmodial drug2006200618.0low000100
2-(n-myristoylamino)-1-phenyl-1-propanol
4
alkylbenzene1999200422.5medium001300
inositol 4,5-bisphosphate
1
myo-inositol bisphosphate2005200519.0low000100
glutamyl-leucyl-threonyl-phenylalanyl-threonyl-prolyl-asparaginyl-tryptophanamide
1
2002200222.0medium000100
glycerophosphoinositol 4,5-bisphosphate
9
1996201618.7low003330
methotrexate
2
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		2005200817.5low000200
ro 32-0432
1
2003200321.0low000100
ulipristal acetate
1
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester;
tertiary amino compound		contraceptive drug;
progesterone receptor modulator;
progestin		2011201113.0low000010
substance p (6-11), arg(6)-trp(7,9)-me-phe(8)-
1
2002200222.0low000100
ilomastat
2
hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent		2006200717.5low000200
omega-n-methylarginine
2
amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		1999201417.5low001010
abiraterone
1
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
pyridines		antineoplastic agent;
EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor		202120213.0low000001
xylose
5
D-xylose2002201216.4low000320
phytol
1
2012201212.0low000010
proline
5
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		1998201217.8low001310
1,3,4,5,6-pentachlorocyclohexene-1-oxide
1
2001200123.0medium000100
docetaxel anhydrous
9
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		2005202010.7low000180
peptide elongation factor 2
1
1988198836.0low010000
ezetimibe
1
azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite		202020204.0low000010
glucosyl fluoride
1
2006200618.0low000100
5-methoxytryptophan
1
L-alpha-amino acid zwitterion;
L-tryptophan derivative		metabolite201820186.0low000010
threonic acid
1
threonic acid202120213.0low000001
vatalanib
2
monochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		2006201414.0low000110
phorbols
3
diterpene;
terpenoid fundamental parent		1986199930.7low012000
cinacalcet
1
(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound		calcimimetic;
P450 inhibitor		2012201212.0low000010
hydroxyl radical
1
oxygen hydride;
oxygen radical;
reactive oxygen species		2010201014.0low000100
bandrowski's base
1
2004200420.0low000100
carbodiimides
1
carbodiimide2014201410.0low000010
isosakuranetin
1
(2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite202120213.0low000001
prostaglandins b
1
1992199232.0low001000
tetraphenylphosphonium
1
heteroorganic entity;
phosphorus molecular entity;
polyatomic cation		1987198737.0low010000
diadenosine triphosphate
2
diadenosyl triphosphatemouse metabolite1999201318.0low001010
metaperiodate
1
iodine oxoanion;
monovalent inorganic anion		2001200123.0low000100
anacardic acid
1
hydroxy monocarboxylic acid;
hydroxybenzoic acid		anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite		201620168.0low000010
lauroylcarnitine
1
dodecanoate ester;
O-dodecanoylcarnitine;
saturated fatty acyl-L-carnitine		1995199529.0low001000
vinylphosphonic acid
1
2009200915.0low000100
threitol
1
threitolhuman metabolite2004200420.0low000100
symmetric dimethylarginine
1
amino acid zwitterion;
dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor201520159.0low000010
1,n(6)-ethenoadenosine 3',5'-monophosphate
1
2005200519.0medium000100
n-acetyl-n-formyl-5-methoxykynurenamine
1
aromatic ketone201720177.0low000010
biotin
4
biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite		2004201515.5low000310
angiotensin ii
25
amino acid zwitterion;
angiotensin II		human metabolite1991202116.3low00410101
campesterol
1
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C28-steroid;
phytosterols		mouse metabolite2005200519.0low000100
gangliotetraose
1
2005200519.0medium000100
atropine
3
1990201420.0low101110
migalastat
2
piperidines201320207.5low000020
sb 203580
23
imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide		EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent		1999201219.7low0051350
sb 216763
1
indoles;
maleimides		2011201113.0low000010
organophosphonates
30
divalent inorganic anion;
phosphite ion		1971201917.3low04010160
aflatoxin b1
2
aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite		2001200720.0low000200
cgp 42700
1
1998199826.0medium001000
alaninal
1
2013201311.0medium000010
aziridine-2-carboxylic acid
1
2005200519.0low000100
dabigatran
2
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		2011201212.5low000020
sorafenib
3
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor		2011201710.7low000030
phenoxodiol
6
2005201116.0low000510
demecolcine
1
alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent		1993199331.0low001000
deoxycholic acid
5
bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human blood serum metabolite1974199535.0low023000
cortisone
1
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		1952195272.0low010000
2-methylthioadenosine
1
2000200024.0low001000
21-hydroxypregnenolone
1
21-hydroxy steroid;
hydroxypregnenolone;
primary alpha-hydroxy ketone		mouse metabolite201720177.0medium000010
anisomycin
5
monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor		2003201118.4low000410
benzofurans
3
1974201332.3low020010
wortmannin
25
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		1992201421.3low0081520
bortezomib
2
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		201120208.5low000020
dihydropyridines
1
1999199925.0low001000
leupeptins
7
1992201220.3low002320
carboplatin
2
2004201514.5low000110
lithium chloride
2
inorganic chloride;
lithium salt		antimanic drug;
geroprotector		1994200425.0low001100
glycogen
2
1996200125.5low001100
n-acetylneuraminic acid
8
N-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite		1986202124.8low023111
fibrin
3
peptide2001202016.0low000210
bradykinin
36
oligopeptidehuman blood serum metabolite;
vasodilator agent		1989202123.1low02181141
glucosamine
17
D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite		1972201340.5low0123110
mevalonic acid
3
3,5-dihydroxy-3-methylpentanoic acid2007202011.0low000120
raffinose
3
raffinose family oligosaccharide;
trisaccharide		mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1994201318.3low001110
naringenin
1
(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite		202120213.0low000001
n-acetyllactosamine
1
beta-D-Galp-(1->4)-D-GlcpNAc2003200321.0low000100
oxytocin
1
heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent		2009200915.0low000100
inositol 1,4,5-trisphosphate
40
myo-inositol trisphosphatemouse metabolite1989201525.5low02231410
ouabain
4
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		1990199731.5low004000
puromycin
1
puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor		1973197351.0low010000
tartaric acid
1
tartaric acidEscherichia coli metabolite1995199529.0low001000
ketodihydrosphingosine
22
2-amino-1-hydroxyoctadecan-3-onemouse metabolite1973202222.4high055741
n-glycolylneuraminic acid
1
N-acylneuraminic acid1986198638.0low010000
nitroarginine
2
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid		1998200025.0low002000
mannosamine
1
D-mannosamine2001200123.0low000100
inositol 3-phosphate
1
2006200618.0low000100
n-acetylglucosamine-6-sulfate
1
amino monosaccharide;
glucosamine sulfate		2003200321.0low000100
adenosine 5'-o-(3-thiotriphosphate)
1
nucleoside triphosphate analogue2000200024.0low001000
strychnine
1
monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide		1972197252.0low010000
monensin
1
cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore		2007200717.0low000100
digitoxin
1
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor1998199826.0low001000
pentazocine
1
benzazocine2009200915.0low000100
phalloidine
2
homodetic cyclic peptide1992200127.5low001100
ryanodine
11
1992201023.5low006500
ingenol
2
cyclic terpene ketone;
tetracyclic diterpenoid		2003200520.0low000200
ochratoxin a
1
isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent		2009200915.0low000100
bq 123
1
cyclic peptide2010201014.0low000100
n-formylmethionine leucyl-phenylalanine
30
tripeptide1986201628.1low0617520
eplerenone
1
3-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent		201620168.0low000010
flumethasone pivalate
1
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		2009200915.0low000100
betadex
7
cyclodextrin2005201514.4low000520
acetyl coenzyme a
4
acyl-CoAacyl donor;
coenzyme;
effector;
fundamental metabolite		1973202022.5low011020
ergosterol
3
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		fungal metabolite;
Saccharomyces cerevisiae metabolite		2005201315.0low000210
trichostatin a
3
antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector		2007201713.7low000210
tretinoin
27
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		1990201324.7low00151020
arachidonic acid
75
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		1986202223.5low154018102
fumaric acid
4
butenedioic acidfood acidity regulator;
fundamental metabolite;
geroprotector		2008201114.8low000310
farnesol
1
farnesolplant metabolite2012201212.0low000010
4-nitrophenylphosphorylcholine
1
phosphocholinesepitope;
hapten		2005200519.0low000100
resveratrol
7
resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger		200720238.7low000142
retinol
1
retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite		1985198539.0low010000
palmitoleic acid
2
hexadec-9-enoic acidalgal metabolite;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
human blood serum metabolite		2003200420.5low000200
oleic acid
15
octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent		1987201526.3low019410
tacrolimus
27
macrolide lactambacterial metabolite;
immunosuppressive agent		1997201220.4low10101340
eicosapentaenoic acid
5
icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical		2008202311.6low100311
thapsigargin
55
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		1994202220.9low00262531
mycophenolic acid
23
2-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic		2001201218.0low7001940
keratan sulfate
2
1991200327.0low001100
gw 3965
1
diarylmethane201620168.0low000010
y 27632
28
aromatic amide2000201914.9low00116110
adenosine-5'-(n-ethylcarboxamide)
1
adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent		1999199925.0low001000
prostaglandin d2
3
prostaglandins Dhuman metabolite;
mouse metabolite		2007201810.7low000120
diethylstilbestrol
1
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		1996199628.0low001000
eptifibatide
1
homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor		2001200123.0low000100
alitretinoin
2
retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist		2001202212.5low100101
h 89
9
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide1993200323.9low003600
afimoxifene
2
phenols;
tertiary amino compound		antineoplastic agent;
estrogen receptor antagonist;
metabolite		1999201517.0low001010
decitabine
2
2'-deoxyribonucleoside1998200721.5low001100
phorbol-12,13-didecanoate
7
1990199531.9low007000
iridoids
3
201920214.0low000021
kt 5720
2
carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor1999200721.0low001100
laminaran
1
2010201014.0low000100
dactinomycin
13
actinomycinmutagen1989201325.4low027220
gamma-sitosterol
1
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols		marine metabolite;
plant metabolite		2005200519.0low000100
aphidicolin
1
tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite		1993199331.0low001000
melphalan
3
L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent		1998201916.0low001110
enkephalin, leucine
2
pentapeptide;
peptide zwitterion		analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite		1995200126.0low001100
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
4
amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor2001201218.0low000310
5-ethynyl-2'-deoxyuridine
1
2011201113.0low000010
potassium permanganate
2
1973200933.0low010100
sodium chlorate
1
chlorate salt;
inorganic sodium salt		herbicide2004200420.0low000100
bromochloroacetic acid
3
2-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound		2003201713.7low000120
carbenoxolone sodium
1
triterpenoid2010201014.0low000100
dimethyl fumarate
19
diester;
enoate ester;
methyl ester		antipsoriatic;
immunomodulator		2007201511.2low0002170
glycosides
21
1971202238.9low0150321
isomethyleugenol
34
isomethyleugenol1971201536.6low0197530
retinaldehyde
1
retinal;
vitamin A		gap junctional intercellular communication inhibitor;
human metabolite;
mouse metabolite		1992199232.0low001000
stilbenes
8
stilbene200720229.8low000161
xanthohumol
1
aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite		2007200717.0low000100
flavin-adenine dinucleotide
3
flavin adenine dinucleotide;
vitamin B2		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group		1971202124.0low010101
cannabidiol
2
olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite		2004202211.0low000101
malonyl coenzyme a
1
malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite		1999199925.0low001000
lypressin
1
cyclic peptide2004200420.0low000100
arginine vasopressin
6
vasopressincardiovascular drug;
hematologic agent;
mitogen		1990200429.3low005100
pyrophosphate
3
diphosphate ion1995200523.7low001200
palmitoyl coenzyme a
15
11,12-saturated fatty acyl-CoA;
3-substituted propionyl-CoA;
long-chain fatty acyl-CoA;
palmitoyl bioconjugate		Escherichia coli metabolite;
mouse metabolite		1978201125.7low036510
gw9662
2
benzamides2006201812.0low000110
s 1033
1
(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		2011201113.0low000010
dihydrosphingosine 1-phosphate
83
sphingoid 1-phosphatemouse metabolite1989202315.2high011434268
acetyl-aspartyl-glutamyl-valyl-aspartal
1
tetrapeptideprotease inhibitor1997199727.0low001000
azidopine
1
benzamides1999199925.0low001000
isopropyl thiogalactoside
1
S-glycosyl compound2011201113.0low000010
fludarabine
1
purine nucleoside1999199925.0low001000
propylthiouracil
1
pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist		1972197252.0low010000
nsc 4347
1
202220222.0low000001
r 59949
3
diarylmethane1997200424.3low002100
sesquiterpenes
1
2003200321.0low000100
ag-213
2
1993199430.5low002000
3,3',4,5'-tetrahydroxystilbene
1
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		2014201410.0low000010
flunarizine
1
diarylmethane1990199034.0low001000
curcumin
7
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		1995201913.1low001150
benztropine
1
diarylmethane2013201311.0low000010
methimazole
1
1,3-dihydroimidazole-2-thionesantithyroid drug1999199925.0low001000
urb 597
2
biphenyls201020237.5low000101
capsaicin
3
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker		2008201412.7low000120
citralva
1
1992199232.0low001000
oxazolone
3
2007202110.7low000111
chlorogenic acid
1
cinnamate ester;
tannin		food component;
plant metabolite		201920195.0low000010
thioguanine anhydrous
1
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent		1995199529.0low001000
serine methyl ester
1
2014201410.0low000010
thiourea
2
one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore		2004201017.0low000200
D-fructopyranose
4
cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent201220199.8low000040
digoxin
1
cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope		2004200420.0low000100
bml 241
12
L-alpha-amino acid2006201911.5high000570
fumonisin b1
156
diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite		1991202221.8medium106372192
fumonisin b2
16
diester;
diol;
fumonisin;
primary amino compound		Aspergillus metabolite;
carcinogenic agent		1991200228.0low0013300
1,3-dihydroxy-4,4,5,5-tetramethyl-2-(4-carboxyphenyl)tetrahydroimidazole
1
benzoic acid;
imidazolines;
organic radical		apoptosis inhibitor;
radical scavenger		2011201113.0low000010
tamoxifen
14
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		1988201918.2low014360
nadp
11
1973201529.6low051230
6-aminoquinolyl-n-hydroxysuccinimidyl carbamate
1
2001200123.0low000100
3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2h-tetrazolium
1
2011201113.0low000010
stattic
1
1-benzothiophenes;
C-nitro compound;
sulfone		antineoplastic agent;
radiosensitizing agent;
STAT3 inhibitor		201620168.0low000010
krn 7000
5
glycophytoceramide;
N-acyl-beta-D-galactosylphytosphingosine		allergen;
antigen;
antineoplastic agent;
epitope;
immunological adjuvant		2005201914.0low000320
methyl-thiohydantoin-tryptophan
1
organonitrogen compound;
organooxygen compound		2012201212.0low000010
4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine
1
201820186.0low000010
toremifene
1
aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator		2013201311.0low000010
u 0126
10
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		2004201715.0low000640
ggti 286
1
2012201212.0low000010
lithium
11
alkali metal atom1974200828.4low032600
cobaltous chloride
1
cobalt salt;
inorganic chloride		allergen;
calcium channel blocker;
sensitiser;
two-colour indicator		201520159.0low000010
hydroxylysine
1
5-hydroxylysine;
hydroxy-L-lysine		human metabolite1978197846.0low010000
monooctanoin
1
1-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol		2013201311.0low000010
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester
6
1993201121.3low002310
rtki cpd
7
2000201517.4low002320
bis(maltolato)oxovanadium(iv)
1
2000200024.0low001000
n,n'-4-xylylenebis(pyridinium)
1
1999199925.0low001000
safingol
505
amino alcohol1960202320.5high52818116810622
dasatinib
2
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		2007201314.0low000110
inositol 1,4,6-trisphosphate
1
myo-inositol trisphosphate2002200222.0medium000100
zd 6474
2
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		2007201214.5low000110
dipalmitoylphosphatidylserine
2
phosphatidyl-L-serine1993199530.0low002000
lignoceroyl-coenzyme a
2
very long-chain fatty acyl-CoAhuman metabolite;
Saccharomyces cerevisiae metabolite		1979198741.0high020000
dipyrromethene
1
dipyrrins2007200717.0low000100
cytellin
1
2005200519.0low000100
ginsenosides
3
2007201811.0low000120
phosphothreonine
1
L-threonine derivative;
non-proteinogenic L-alpha-amino acid;
O-phosphoamino acid		Escherichia coli metabolite1994199430.0low001000
ovalbumin
24
2003202213.4low0001581
sodium dodecyl sulfate
3
organic sodium saltdetergent;
protein denaturant		1999201914.3low001020
blister
5
cyclic ketone;
pyrroloquinoline;
tertiary alcohol;
tertiary alpha-hydroxy ketone		inhibitor2006201514.2low000410
mtt formazan
1
2000200024.0low001000
alpha-chymotrypsin
1
2004200420.0low000100
sew2871
52
oxadiazole;
ring assembly		2005202312.9high00026242
nvp 231
1
2009200915.0medium000100
atrinositol
1
2003200321.0low000100
d 609
6
1997200025.5low006000
am 630
1
N-acylindole2010201014.0low000100
osteoprotegerin
3
long-chain fatty acid201320189.3low000030
3-(2-hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol
1
alkylbenzene;
ring assembly		2006200618.0low000100
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide
1
benzamides;
benzodioxoles;
imidazoles;
pyridines		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor2007200717.0low000100
rhodamine 123
2
organic cation;
xanthene dye		fluorochrome1996199926.5low002000
myelin basic protein
10
1989201516.1low010450
australifungin
1
carbobicyclic compound;
enol;
enone;
secondary alcohol		antifungal agent;
EC 2.3.1.24 (sphingosine N-acyltransferase) inhibitor;
HIV-1 integrase inhibitor;
metabolite		1998199826.0medium001000
quercetin
8
7-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger		1990202215.9low003122
bilirubin
4
biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite		2000201718.0low101210
dinoprostone
48
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		1989201918.8low04919160
dinoprost
11
monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite		1992200923.3low007400
prostaglandin b1
1
prostaglandins Bhuman metabolite1992199232.0low001000
arachidonyltrifluoromethane
3
fatty acid derivative;
ketone;
olefinic compound;
organofluorine compound		EC 3.1.1.4 (phospholipase A2) inhibitor1997200424.3low002100
apigenin
1
trihydroxyflavoneantineoplastic agent;
metabolite		201520159.0low000010
luteolin
1
3'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist		201520159.0low000010
linoleic acid
10
octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite		1985202319.6low023113
calcitriol
20
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		1989201721.6low027740
psychosine
92
glycosylsphingoidhuman metabolite1974202030.6high041242250
vitamin k semiquinone radical
6
1973202141.0low050001
11-cis-retinal
4
retinalchromophore;
human metabolite;
mouse metabolite		2003201217.2low000310
leukotriene b4
9
dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent		1987201128.9low025110
leukotriene c4
1
leukotrienebronchoconstrictor agent;
human metabolite;
mouse metabolite		1998199826.0low001000
thromboxane a2
6
epoxy monocarboxylic acid;
thromboxanes A		mouse metabolite1998201516.7low002130
2-hexadecenal
3
hexadecenal;
n-alk-2-enal;
trans-2,3-unsaturated fatty aldehyde		2007201214.0high000120
hymecromone
1
hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor		1975197549.0low010000
8,11,14-eicosatrienoic acid
1
fatty acid 20:3;
long-chain fatty acid		fungal metabolite;
human metabolite;
nutraceutical		2008200816.0low000100
alprostadil
4
prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent		1998201418.2low002020
5-hydroxy-6,8,11,14-eicosatetraenoic acid
1
HETEhuman metabolite;
mouse metabolite		1988198836.0low010000
cholecalciferol
3
D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite		1996201320.0low001110
leukotriene d4
1
dipeptide;
leukotriene;
organic sulfide		bronchoconstrictor agent;
human metabolite;
mouse metabolite		1995199529.0low001000
arachidonic acid omega-9 hydroperoxide
1
HPETEmouse metabolite1990199034.0low001000
alpha-linolenic acid
1
linolenic acid;
omega-3 fatty acid		micronutrient;
mouse metabolite;
nutraceutical		202220222.0low000001
genistein
28
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		1990201724.5low0019630
amphotericin b
2
antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite		1992200127.5low001100
pulmicort
1
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		2009200915.0low000100
montelukast
1
aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist		2009200915.0low000100
erucic acid
1
docosenoic acid202220222.0low000001
jasmonic acid
4
oxo monocarboxylic acidjasmonates;
plant metabolite		2009201611.2low000130
mezerein
1
diterpenoid1992199232.0low001000
zearalenone
1
macrolide;
resorcinols		fungal metabolite;
mycoestrogen		202220222.0low000001
baicalein
1
trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger		202020204.0low000010
morin
1
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		2013201311.0low000010
rottlerin
12
aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite		1997201221.0low004620
anandamide
6
endocannabinoid;
N-acylethanolamine 20:4		human blood serum metabolite;
neurotransmitter;
vasodilator agent		1996202315.0low002202
geranylgeranylacetone
1
2009200915.0low000100
1-palmitoyl-2-oleoylphosphatidylethanolamine
1
(18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambdalambda(5)-phosphatetracosan-18-yl icosanoate;
phosphatidylethanolamine		2005200519.0low000100
n,n-dimethylsphingenine
148
aminodiol;
sphingoid;
tertiary amino compound		EC 2.7.1.91 (sphingosine kinase) inhibitor;
metabolite		1989202119.5high014376271
menatetrenone
1
menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent		202120213.0low000001
isotretinoin
1
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		2006200618.0low000100
pitavastatin
1
cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant2007200717.0low000100
9-hydroxy-10,12-octadecadienoic acid
1
HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite		2014201410.0low000010
13-hydroxy-9,11-octadecadienoic acid
1
octadecadienoic acid2014201410.0low000010
9,10,13-trihydroxy-11-octadecenoic acid
1
long-chain fatty acid;
monounsaturated fatty acid;
straight-chain fatty acid;
TriHOME		human blood serum metabolite2012201212.0medium000010
thromboxane b2
3
thromboxanes Bhuman metabolite;
mouse metabolite		1990201725.0low002010
4-hydroxy-2-nonenal
3
4-hydroxynon-2-enal;
4-hydroxynonenal		1991201724.0low002010
n-oleoylethanolamine
16
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist		1995201521.7low007810
1-palmitoyl-2-oleoylglycero-3-phosphoserine
1
3-sn-phosphatidyl-L-serine201720177.0low000010
menaquinone 6
2
202120213.0low000002
sphingosine 1-phosphate
3,640
sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent		1989202312.7high2212591,3191,774287
n-palmitoylsphingosine
21
Cer(d34:1);
N-acylsphingosine;
N-palmitoyl-sphingoid base		human blood serum metabolite;
Mycoplasma genitalium metabolite		1995202019.0high0061140
ceramide 1-phosphate
59
N-acylsphingosine 1-phosphate1996202212.1high00322313
cholesteryl oleate
2
CE(18:1);
cholesteryl octadec-9-enoate		mouse metabolite1996201120.5low001010
naloxone
1
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		2004200420.0low000100
sirolimus
48
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		1997201418.7low20731100
brefeldin a
15
macrolide antibioticPenicillium metabolite1990202221.3low007611
seocalcitol
1
1999199925.0low001000
fenretinide
10
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		2000201816.6low001630
kh 1060
1
1994199430.0low001000
morphine
1
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic		1994199430.0low001000
lysophosphatidylglycerol
2
a 3-acyl-sn-glycero-1-phospho-(1'-sn-glycerol)(1-)2009201213.5low000110
su 5402
1
2008200816.0low000100
herbimycin
7
1,4-benzoquinones;
lactam;
macrocycle		antimicrobial agent;
apoptosis inducer;
herbicide;
Hsp90 inhibitor;
tyrosine kinase inhibitor		1990200426.1low005200
ono-ae1-329
1
2010201014.0low000100
lysophosphatidic acid
141
1-acyl-sn-glycerol 3-phosphate1997202313.9low00187458
lysophosphatidylcholines
43
1-O-acyl-sn-glycero-3-phosphocholine1973202217.9low02423122
cytochalasin b
5
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor		1992200723.8low002300
pd 123319
2
imidazopyridineangiotensin receptor antagonist;
endothelin receptor antagonist;
vasoconstrictor agent		2007201015.5low000200
calyculin a
7
1995201220.9low002320
kn 93
1
monochlorobenzenes;
monomethoxybenzene;
primary alcohol;
sulfonamide;
tertiary amino compound		EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor;
geroprotector		1999199925.0low001000
kn 62
3
piperazines1993200127.7low002100
su 6656
1
2014201410.0low000010
1,2-oleoylphosphatidylcholine
8
phosphatidylcholine(1+)1992201715.9low003050
cinnamyl alcohol
1
cinnamyl alcoholplant metabolite2011201113.0low000010
calycosin-7-o-beta-d-glucopyranoside
1
4'-methoxyisoflavones;
7-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		202120213.0low000001
trilinolein
1
1,2-diacyl-3-linoleoylglycerol;
1,3-diacyl-2-linoleoylglycerol;
linoleoyl containing 1,2,3-triacyl-sn-glycerol;
TG(18:2/18:2/18:2);
triglyceride		mouse metabolite1999199925.0low001000
casein kinase ii
2
1997199826.5low002000
erbstatin
1
1990199034.0low001000
ag-490
5
catechols;
enamide;
monocarboxylic acid amide;
nitrile;
secondary carboxamide		anti-inflammatory agent;
antioxidant;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector;
STAT3 inhibitor		1999201813.2low101130
semaxinib
2
olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist		2010201312.5low000110
su 11248
3
monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist		2011201910.0low000030
lead
1
carbon group element atom;
elemental lead;
metal atom		neurotoxin201720177.0low000010
12-hydroxy-5,8,10,14-eicosatetraenoic acid
3
1990201425.7low002010
15-hydroxy-5,8,11,13-eicosatetraenoic acid
2
1997201418.5low001010
bay 11-7082
1
nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor		2004200420.0low000100
5,5',6,6'-tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine
1
cyanine dye;
indolium ion		fluorochrome2004200420.0low000100
diamide
1
1,1'-azobis(N,N-dimethylformamide)1989198935.0low010000
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid
6
1992201123.7low004110
barium
6
alkaline earth metal atom;
elemental barium		1974201028.0low013200
oleylamine
2
1993199530.0low002000
rubidium
1
alkali metal atom1992199232.0low001000
aluminum
4
boron group element atom;
elemental aluminium;
metal atom		1974201232.0low020110
arsenic
5
metalloid atom;
pnictogen		micronutrient1989202219.8low011201
naltrexone
2
cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic		2008200915.5low000200
batimastat
3
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor		1999200423.0low002100
sulfur
4
chalcogen;
nonmetal atom		macronutrient1971201622.2low010120
isoalloxazine
1
benzo[g]pteridine-2,4-dione2002200222.0low000100
diphenylhexatriene
4
alkatrienefluorochrome1981201325.5low011110
dimyristoylphosphatidylcholine
6
1,2-diacyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 28:0;
tetradecanoate ester		antigen;
mouse metabolite		1994201322.0low003210
fumarates
23
butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite		2007201511.8low0005180
cysteine
8
cysteiniumfundamental metabolite1992202215.6low002312
thyronines
1
thyronine201620168.0low000010
silicon
6
carbon group element atom;
metalloid atom;
nonmetal atom		1972197450.7low060000
phosphorus
4
monoatomic phosphorus;
nonmetal atom;
pnictogen		macronutrient1969200145.2low030100
fumonisin a1
2
fumonisin1998200323.5high001100
pregabalin
1
gamma-amino acidanticonvulsant;
calcium channel blocker		201520159.0low000010
n-acetylsphingosine
484
N-acylsphingosine1990202121.3high00213215542
isoglobotrihexosylceramide
1
alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cerantigen2014201410.0low000010
docosapentaenoic acid
1
docosapentaenoic acid;
omega-3 fatty acid		algal metabolite;
human metabolite		201720177.0low000010
bafilomycin a
1
1997199727.0low001000
abscisic acid
7
2-trans-abscisic acid2001201617.1low000520
n-caproylsphingosine
43
N-acylsphingosine1997202320.7high00211552
3,3'-dihexyl-2,2'-oxacarbocyanine
1
2001200123.0low000100
carbocyanines
2
cyanine dye;
organic iodide salt		fluorochrome2001200421.5low000200
1,2-dielaidoylphosphatidylethanolamine
2
1997200921.0low001100
gw-5074
1
2010201014.0low000100
6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one
1
naphthalenes2011201113.0low000010
ammonium sulfate
1
ammonium salt;
inorganic sulfate salt		fertilizer1989198935.0low010000
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid
3
2002201716.0low000210
12-o-retinoylphorbol-13-acetate
1
201720177.0low000010
coomassie brilliant blue
1
2010201014.0low000100
tetrodotoxin
4
azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid		animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker		1988200822.0low010300
selenium
1
chalcogen;
nonmetal atom		micronutrient2011201113.0low000010
selenocysteine
1
202120213.0low000001
oxalates
2
1994200425.0low001100
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
1
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid201820186.0low000010
n-desmethyltamoxifen
1
stilbenoid201520159.0low000010
dizocilpine maleate
5
maleate salt;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist		1999201618.2low001310
antimycin a
6
amidobenzoic acid1978201623.0low011220
24,25-dihydroxyvitamin d 3
1
2001200123.0low000100
linoleamide
1
primary fatty amidehuman metabolite201920195.0low000010
1-palmitoyl-2-oleoylphosphatidylcholine
6
1995201419.2low002310
latrunculin b
1
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		2007200717.0low000100
bafilomycin a1
2
cyclic hemiketal;
macrolide antibiotic;
oxanes		apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin		2013201510.0low000020
1-oleoyl-2-acetylglycerol
17
1,2-diglyceride1989201829.6low068210
involucrin
3
2008201712.3low000210
1,2-dioleoyloxy-3-(trimethylammonium)propane
1
201520159.0low000010
ly 53857
1
1992199232.0low001000
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid
1
201820186.0low000010
sphingosine phosphorylcholine
259
1958202219.2high2576120526
1,1'-((4,4,7,7-tetramethyl)-4,7-diazaundecamethylene)bis-4-(3-methyl-2,3-dihydro(benzo-1,3-oxazole)-2-methylidine)quinolinium, tetraiodide
1
cyanine dye;
organic iodide salt		fluorochrome1996199628.0low001000
plastochromanol 8
2
201220179.5low000020
ono 4057
1
2011201113.0low000010
1-palmitoyl-2-linoleoylphosphatidylcholine
1
2004200420.0low000100
thermozymocidin
44
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		1996201917.3medium00721160
lactosyl lysosphingolipid
6
1979200333.3high031200
n,n,n-trimethylsphingosine
16
1991200827.1high0013300
liga 20
20
1991201525.2high0012710
ergosta-4,6,8(14),22-tetraen-3-one
1
3-oxo-Delta(4) steroid;
ergostanoid		fungal metabolite2010201014.0low000100
sphingosyl beta-glucoside
31
1974202023.9high0571630
everolimus
15
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		2000201119.6low1021120
globotriaosyl lysosphingolipid
3
1990201318.7low001020
cdw17 antigen
10
1990202220.9low003511
trisialoganglioside gt1
2
1989201124.0low010010
i(3)so3-galactosylceramide
31
galactosylceramide sulfate;
N-acyl-beta-D-galactosylsphingosine		1969201636.5low0176620
n-stearoylsphingomyelin
1
sphingomyelin 36:1;
sphingomyelin d18:1		mouse metabolite1988198836.0low010000
beta-escin
1
triterpenoid saponin2002200222.0low000100
verlukast
3
2009201711.7low000120
beta-escin
3
1993200924.0low002100
erythro-dihydrosphingosine
2
amino alcohol2002200321.5medium000200
s-nitroso-n-acetylpenicillamine
2
nitroso compound;
nitrosothio compound		nitric oxide donor;
vasodilator agent		2000200422.0low001100
n-octanoylsphinganine
2
N-acylsphinganine1997200423.5high001100
lactacystin
1
lactam;
S-substituted L-cysteine		2001200123.0low000100
hoe 777
1
corticosteroid hormone2012201212.0low000010
ergoline
1
diamine;
ergoline alkaloid;
indole alkaloid fundamental parent;
indole alkaloid;
organic heterotetracyclic compound		1992199232.0low001000
adenosine-3',5'-cyclic phosphorothioate
5
nucleoside 3',5'-cyclic phosphorothioate1994200525.0low003200
sq-23377
29
cyclic ether;
enol;
polyunsaturated fatty acid;
very long-chain fatty acid		calcium ionophore;
metabolite		1988200528.1low0515900
vilazodone hydrochloride
1
hydrochlorideantidepressant;
serotonergic agonist;
serotonin uptake inhibitor		2013201311.0low000010
jwh-133
1
benzochromene;
dibenzopyran;
organic heterotricyclic compound		analgesic;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inhibitor;
CB2 receptor agonist;
opioid analgesic;
vasodilator agent		202320231.0low000001
carbobenzoxyglycylphenylalanine
1
1995199529.0low001000
staurosporine
131
ammonium ion derivative1989201527.7low0610015100
dioleoylphosphatidic acid
1
1,2-bis(octadec-9-enoyl)phosphatidic acid2003200321.0low000100
hypericum
1
penicillanic acids2012201212.0low000010
chlorhexidine
1
biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent		2010201014.0low000100
formazans
1
2000200024.0low001000
triacsin c
2
hydrazone;
nitroso compound;
olefinic compound		antimalarial;
apoptosis inhibitor;
bacterial metabolite;
EC 3.1.1.64 (retinoid isomerohydrolase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
vasodilator agent		2002201416.0low000110
2-hexyl-1-cyclopentanone thiosemicarbazone
1
201720177.0low000010
s-nitrosocysteine
1
L-cysteine derivative;
nitrosothio compound		hematologic agent;
platelet aggregation inhibitor;
vasodilator agent		2001200123.0low000100
pachastrissamine
47
2002202210.9high00017255
kb r7943
1
2010201014.0low000100
midostaurin
1
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		1998199826.0low001000
lu 28-179
1
201620168.0low000010
jasplakinolide
3
cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent		2002201515.0low000210
ro 28-2653
1
2004200420.0low000100
sincalide
2
oligopeptide1994199728.5low002000
etomoxir
2
aromatic ether2001200222.5low000200
n(6)-cyclohexyladenosine
1
1999199925.0low001000
muromonab-cd3
1
alkaloid;
macrocycle;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
oxacycle;
tertiary amino compound		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
IP3 receptor antagonist;
marine metabolite		2013201311.0low000010
ginsenoside m1
2
12beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
ginsenoside;
tetracyclic triterpenoid		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
hepatoprotective agent;
plant metabolite		2007201413.5low000110
gambogic acid
1
pyranoxanthonesmetabolite202020204.0low000010
cangrelor
1
adenosine 5'-phosphate;
aryl sulfide;
nucleoside triphosphate analogue;
organochlorine compound;
organofluorine compound;
secondary amino compound		P2Y12 receptor antagonist;
platelet aggregation inhibitor		201620168.0low000010
flag peptide
2
peptide2000200024.0low002000
mocetinostat
17
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		1987201819.0low0131030
sc 236
1
2014201410.0low000010
mk-0524
1
indolyl carboxylic acid2013201311.0low000010
practolol
1
2005200519.0low000100
1,3-bis(bis(pyridin-2-ylmethyl)amino)propan-2-ol
1
2010201014.0low000100
lipid a
1
dodecanoate ester;
lipid A;
tetradecanoate ester		Escherichia coli metabolite1989198935.0low010000
ginsenoside rb1
1
ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger		201820186.0low000010
sucrose monolaurate
1
2009200915.0low000100
g(m2) ganglioside
4
N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine;
sialotriaosylceramide		antigen1984201926.5low020110
es-285
12
amino alcohol;
sphingoid		antineoplastic agent2003201611.5high1001110
tofacitinib
1
N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		201720177.0low000010
samarium
1
sphingomyelin d18:1/16:0mouse metabolite2010201014.0low000100
zeolites
1
2012201212.0low000010
tetramethylrhodamine
1
xanthene dye2001200123.0low000100
u 18666a
1
hydrochlorideantiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor		1991199133.0low001000
g(m1) ganglioside
47
alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine;
sialotetraosylceramide		1981201826.5low05251340
halichondrin b
1
furopyran2011201113.0low000010
cystathionine
1
cysteine derivative202020204.0low000010
cerebroside d
1
2004200420.0medium000100
odanacatib
1
201520159.0low000010
vitamin u
1
methyl-L-methionine;
sulfonium betaine		2000200024.0low001000
jte 013
44
chloropyridine;
pyrazolopyridine		anti-asthmatic agent;
anti-inflammatory agent;
antineoplastic agent;
osteogenesis regulator;
pro-angiogenic agent;
sphingosine-1-phosphate receptor 2 antagonist		2003202012.3high00019250
sotrastaurin
1
indoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines		anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent		2010201014.0low000100
alpha-synuclein
3
201420216.7low000021
7-aminoactinomycin d
1
2013201311.0low000010
cgs 24012
1
2002200222.0low000100
oxadiazoles
69
1988202313.0low01228353
4,5-diaminofluorescein
1
2001200123.0low000100
d-ribo-phytosphingosine-1-phosphate
29
sphingoid 1-phosphateSaccharomyces cerevisiae metabolite1999202114.0high0067142
ucn 1028 c
24
1992201326.1low0018510
ribose
2
D-ribose;
ribopyranose		2006201115.5low000110
r-106
5
1997201518.4low002120
krp-203
7
2005201814.0high000430
abt-737
1
aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound		anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor		201920195.0low000010
1-allyl-3-methylimidazolium
1
202220222.0low000001
brimonidine tartrate
2
1998199925.5low002000
auy 954
7
2007201613.0high000430
nystatin a1
1
nystatins2008200816.0low000100
er-086526
1
cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound		antineoplastic agent;
microtubule-destabilising agent		2011201113.0low000010
ponesimod
5
201320237.8low000041
cs 0777
3
2009201312.7high100120
mrs 1845
1
2010201014.0low000100
oleandrin
1
14beta-hydroxy steroid;
cardenolide glycoside;
steroid ester;
steroid saponin		2006200618.0low000100
(r)-n-(benzimidazol-2-yl)-1,2,3,4-tetrahydro-1-naphthylamine
1
2014201410.0low000010
VPC 23019
5
aromatic amide;
D-serine derivative;
organic phosphate;
phosphoric ester;
secondary carboxamide		sphingosine-1-phosphate receptor 1 antagonist;
sphingosine-1-phosphate receptor 3 antagonist		200520198.8high000140
veratridine
2
1988199234.0low011000
idelalisib
1
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		201520159.0low000010
correolide
1
hydroxy steroid2001200123.0low000100
fostamatinib
1
201520159.0low000010
losartan potassium
5
1999202210.2low001031
palmitoylcarnitine
11
O-palmitoylcarnitine;
saturated fatty acyl-L-carnitine		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
human metabolite;
mouse metabolite		1987202225.1low033311
calcimycin
55
benzoxazole1987201529.9low0941410
syringomycin
1
2004200420.0low000100
sepharose
5
1979200530.8low021200
indocyanine green
1
1,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye		2013201311.0low000010
pituitrin
2
1988199831.0low011000
n4-(2,2-dimethyl-3-oxo-4h-pyrid(1,4)oxazin-6-yl)-5-fluoro-n2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine
1
2014201410.0low000010
inositol 3,4,5-trisphosphate
1
2001200123.0low000100
phytosterols
1
2005200519.0low000100
acid phosphatase
5
1986201328.8low013010
erythrosine
1
1997199727.0low001000
mefloquine
2
2003201017.5low000200
ants
1
2014201410.0low000010
asterina
1
2010201014.0low000100
xestoaminol c
1
amino alcohol;
sphingoid		metabolite2008200816.0medium000100
jaw
1
indolecarboxamide2012201212.0low000010
nad
7
organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite		1977201036.0low050200
mdv 3100
1
(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent		202120213.0low000001
cytochrome c-t
33
2003202215.1low0002643
gw 4869
5
201120179.8low000050
melitten
3
1995201020.7low001200
cholecystokinin
2
1993200326.0low001100
ceruletide
1
oligopeptidediagnostic agent;
gastrointestinal drug		201820186.0low000010
motilin
2
2005201016.5low000200
atrial natriuretic factor
1
polypeptide2006200618.0low000100
enfuvirtide
1
2012201212.0low000010
nociceptin
1
organic molecular entity;
polypeptide		human metabolite;
rat metabolite		2005200519.0low000100
gramicidin a
1
2010201014.0low000100
glucagon
1
peptide hormone1994199430.0low001000
emerimicins
1
2011201113.0low000010
neuropeptide y
2
1994200624.0low001100
iberiotoxin
1
2002200222.0low000100
oligonucleotides
6
1992201718.7low002220
glucagon-like peptide 1
1
2012201212.0low000010
c-peptide
1
2007200717.0low000100
natriuretic peptide, c-type
4
2004201317.0low000310
ristocetin
2
glycopeptide;
heterodetic cyclic peptide;
macrocycle;
tetrasaccharide derivative		antibacterial drug;
antimicrobial agent;
bacterial metabolite;
platelet-activating factor receptor agonist		1991199431.5low002000
cellulose
2
glycoside2010201710.5low000110
endothelin-1
21
1998201816.8low0041160
phosphatidylcholines
91
1,2-diacyl-sn-glycero-3-phosphocholine1971202227.1low0203915152
n-hexanoyldihydrosphingosine
2
N-acylsphinganine2004202211.0high000101
n-(7-(4-nitrobenzo-2-oxa-1,3-diazole))-6-aminocaproyl sphingosine
4
N-acylsphingosinefluorescent probe2000201417.2low001120
amikacin
1
202020204.0low000010
chlorophyll a
2
chlorophyll;
methyl ester		cofactor1998199826.0low002000
dihydroceramide
42
1997202218.1high001318101
nsc 23766
2
hydrochlorideantiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist		2013201510.0low000020
sphingosine kinase
864
1973202313.0high315033543246
ubiquinone
2
2005202111.0low000101
calpain
14
1990201818.1low004460
pyrazolopyridine
1
2002200222.0low000100
chitosan
4
2008201712.0low000220
sphingadienine
6
2003201812.8high000240
technetium tc 99m sestamibi
1
2004200420.0low000100
9-(tetrahydro-2-furyl)-adenine
1
2002200222.0low000100
bucladesine
26
3',5'-cyclic purine nucleotide1988201227.2low0217520
psychosine-3'-sulfate ester
8
1989201127.8high024110
stearates
1
1976197648.0low010000
chiniofon
1
1998199826.0low001000
arginine
1
1999199925.0low001000
hygromycin b
1
2006200618.0low000100
methyl jasmonate
1
2009200915.0low000100
(2r,3z)-n-(1-hydroxyoctadec-3-en-2-yl)pivalamide
1
201920195.0medium000010
phosphatidylinositol 4-phosphate
2
2007200916.0low000200
s-adenosylmethionine
2
organic cation;
sulfonium compound		coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		1989200825.5low010100
gdc 0449
1
benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent		2013201311.0low000010
1,2-diarachidonoyl-glycero-3-phosphocholine
1
1,2-diacyl-sn-glycero-3-phosphocholine201520159.0low000010
pci 32765
1
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		201520159.0low000010
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene
6
BODIPY compound2002201814.8low000420
cardiovascular agents
8
1995201415.8low101430
neurotensin
1
peptide hormonehuman metabolite;
mitogen;
neurotransmitter;
vulnerary		1992199232.0low001000
substance p, phe(5)-trp(7,9)-leu(11)-
1
2003200321.0low000100
11,12-epoxy-5,8,14-eicosatrienoic acid
1
11,12-EEThuman xenobiotic metabolite2008200816.0low000100
lysophosphatidylserine
4
1-acyl-sn-glycero-3-phosphoserine1995201617.5low001210
fumonisin b4
1
diester;
fumonisin;
primary amino compound;
secondary alcohol		Aspergillus metabolite1997199727.0low001000
plx4032
2
aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		201220198.5low000020
ganglioside, gd1a
6
1981200435.7low050100
glycolipids
351
1948202327.4low097106835015
elafin
1
201520159.0low000010
piperidines
19
1997202016.2low005770
bryostatin 1
7
1992200227.3low006100
galactocerebroside
1
1990199034.0low001000
interleukin-8
40
1990202314.8low00419134
vpc32183
2
2008201015.0medium000200
siponimod
7
201220234.3low000034
lb-100
1
201920195.0low000010
colistin
1
1991199133.0low001000
int-777
1
201620168.0low000010
englerin a
1
cinnamate ester;
glycolate ester;
guaiane sesquiterpenoid		antineoplastic agent;
metabolite		201820186.0low000010
calcipotriene
2
hydrateantipsoriatic2013201311.0low000020
osu-2s
6
201120227.5high000051
vasoactive intestinal peptide
3
1990200428.0low002100
natriuretic peptide, brain
2
polypeptide2006201613.0low000110
heme
2
2005201514.0low000110
3-amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid
17
2006201910.6high0003140
heparitin sulfate
5
200820219.0low000131
arginyl-glycyl-glutamic acid
1
oligopeptide1999199925.0low001000
ascorbic acid
2
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		2009201412.5low000110
minocycline
1
2007200717.0low000100
salicylates
1
monohydroxybenzoateplant metabolite202120213.0low000001
laquinimod
16
aromatic amide2007201413.1medium0006100
warfarin
6
benzenes;
hydroxycoumarin;
methyl ketone		1974202027.0low022020
tenuazonic acid
1
201520159.0low000010
citrinin
1
2013201311.0low000010
antimycin
2
2003201614.5low000110
teriflunomide
22
(trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide		drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor		2008201511.8low0005170
lfm a13
1
1999199925.0low001000
ono-8430506
1
201520159.0medium000010
epidermal growth factor
50
1988202021.1low041913140
charybdotoxin
1
2002200222.0low000100
rhodostomin
1
1995199529.0low001000
transforming growth factor beta
52
1997202213.5low00324223
phytoestrogens
2
201220179.5low000020
okadaic acid
35
ketal1992201223.2low00201050
phosphatidylethanol
5
1994200326.6low004100
ceramide 3
1
N-acylphytosphingosine2006200618.0low100100
pyrethrins
1
1990199034.0low001000
pf-543
12
sulfonamide201220235.8high000084
globotriaosylceramide
6
1980201329.2low013110
mbp-8298
1
2010201014.0medium000100
3-(4-chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide
10
201020209.5high000190
cobra cardiotoxin proteins
1
1991199133.0low001000
hirudin
1
1995199529.0low001000
cyclin d1
12
2001201715.4low000840
contraceptives, postcoital
2
1996201120.5low001010
ganglioside gm1alpha
1
2005200519.0low000100
lysophosphatidylinositol
2
2004200917.5low000200
lysophosphatidylethanolamine
3
2009201213.7low000210
caseins
1
1992199232.0low001000
oligomycins
1
1996199628.0low001000
g(m3) ganglioside
15
alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide;
sialodiosylceramide;
sialotriaosylceramide		mouse metabolite1977202125.5low037311
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone
18
1997202119.3low007731
nitrophenols
2
1975201927.0low010010
bassianolide
2
cyclodepsipeptide;
cyclooctadepsipeptide		antineoplastic agent;
fungal metabolite;
insecticide		1998200025.0low002000
lewis x antigen
2
2003200719.0low000200
zervamicin iib
1
2011201113.0low000010
adrenomedullin
1
2005200519.0low000100
flexibilide
1
201620168.0medium000010
epoetin alfa
1
202220222.0low000001
fumonisin b3
5
1995200226.6low004100
ginkgolide b
1
2005200519.0low000100
ged0301
1
201720177.0low000010
transforming growth factor alpha
2
1999201119.0low001010
cyclosporine
81
1996201920.4low1202348100
flavin mononucleotide
1
1971197153.0low010000
cytochalasin d
7
1994201522.7low004210
lactoferrin
2
1987200428.5low010100
myelin oligodendrocyte glycoprotein (35-55)
4
2005201313.8low000130
digitonin
3
1990199233.3low003000
o-methyl-serine dodecylamide hydrochloride
1
2001200123.0medium000100
apyrase
1
1995199529.0low001000
thromboplastin
5
1957201332.4low021110
chondroitin sulfates
2
201420159.5low000020
noxiustoxin
1
1991199133.0low001000
tautomycin
2
2002201117.5low000110
fucosyl gm1 ganglioside
1
201820186.0low000010
acyclovir
1
2-aminopurines;
oxopurine		antimetabolite;
antiviral drug		2011201113.0low000010
cyclic gmp
12
3',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		1990201322.0low006420
deoxyguanosine
1
purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		2012201212.0low000010
guanosine diphosphate
2
guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor		1999201218.5low001010
guanosine triphosphate
18
guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor		1989200527.8low0210600
guanine
1
2-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		1990199034.0low001000
guanosine
1
guanosines;
purines D-ribonucleoside		fundamental metabolite1991199133.0low001000
inosine
1
inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201720177.0low000010
sapropterin
1
5,6,7,8-tetrahydrobiopterincoenzyme;
cofactor;
diagnostic agent;
human metabolite		2003200321.0low000100
folic acid
2
folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient		1998200522.5low001100
3-methyladenine
3
2011201511.0low000030
queuine
1
pyrrolopyrimidineEscherichia coli metabolite1990199034.0low001000
guanosine 5'-o-(3-thiotriphosphate)
30
nucleoside triphosphate analogue1989201723.3low02111430
rifampin
1
cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor		1973197351.0low010000
dacarbazine
4
dacarbazine2007201412.5low000130
didanosine
1
purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor		2007200717.0low000100
zaprinast
2
triazolopyrimidines2002200719.5low000200
allopurinol
2
nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger		1994201022.0low001100
guanylyl imidodiphosphate
2
nucleoside triphosphate analogue1990199929.5low002000
guanosine 5'-o-(2-thiodiphosphate)
1
nucleoside diphosphate analogue2012201212.0low000010
loxoribine
1
1991199133.0low001000
way 200070
1
2014201410.0low000010
8-bromocyclic gmp
2
3',5'-cyclic purine nucleotide;
organobromine compound		muscle relaxant;
protein kinase G agonist		2000200223.0low001100
ag-879
1
2008200816.0low000100
trypan blue
6
1989200028.3low015000
7-methyl-8-oxoguanosine
1
1991199133.0medium001000
methylnitronitrosoguanidine
1
nitroso compoundalkylating agent2001200123.0low000100
8-((4-chlorophenyl)thio)cyclic-3',5'-gmp
1
3',5'-cyclic purine nucleotide;
aryl sulfide;
organochlorine compound;
ribonucleotide		protein kinase agonist2007200717.0low000100
cyclic guanosine monophosphate-adenosine monophosphate
2
adenyl ribonucleotide;
cyclic purine dinucleotide;
guanyl ribonucleotide		202020204.0low000020
dibutyryl cyclic gmp
2
1993199530.0low002000
crt 0066101
1
2013201311.0low000010
lipoteichoic acid
1
2004200420.0low000100
cholestyramine resin
1
2001200123.0low000100
eye
4
1973200825.8low010300
carbidopa
1
2002200222.0low000100
tc14012
1
2012201212.0low000010
concanavalin a
11
1989201224.2low015410
trypsinogen
1
202220222.0low000001
phosphorus radioisotopes
19
1974201527.2low049420
phosphatidylbutanol
1
2002200222.0low000100
leptin
3
200620219.3low000111
pyrimidinones
4
1989199630.8low013000
tetrafluoroaluminate
1
1994199430.0low001000
filipin
2
1991200526.0low001100
phenanthrenes
4
1992202014.8low001030
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
2019 Novel Coronavirus Disease0
30
202020232.2low1000426
47,XX,+210
1
201920195.0low000010
A-alphalipoprotein Neuropathy0
1
2000200024.0low001000
Abdominal Aortic Aneurysm0
3
2007201413.0low000120
Abdominal Epilepsy0
1
2012201212.0low000010
Abdominal Neoplasms0
1
2013201311.0low000010
Abnormalities, Autosome0
1
2000200024.0low001000
Abnormalities, Cardiovascular0
1
2002200222.0low000100
Abnormalities, Drug-Induced0
6
1998201413.0low001050
Abnormalities, Multiple0
1
2014201410.0low000010
Abnormality, Heart0
4
1973201423.0low010210
Abortion, Habitual0
1
202220222.0low000001
Abortion, Recurrent0
1
202220222.0low000001
Abortion, Spontaneous0
4
2007201811.2low000130
Abortion, Tubal0
4
2007201811.2low000130
Absence Seizure0
3
1974200531.3low011100
Absence Status0
3
2003201217.3low000210
Academic Disorder, Developmental0
1
2014201410.0low000010
Ache0
9
2008201810.7low100270
Acid beta-Glucosidase Deficiency0
36
1972202033.2low0202950
Acid Ceramidase Deficiency0
1
2011201113.0low000010
Acidosis, Respiratory0
2
1993200127.0low001100
Acne0
3
1985201920.3low010110
Acne Inversa0
1
201720177.0low000010
Acne Rosacea0
1
201620168.0low000010
Acne Vulgaris0
3
1985201920.3low010110
Acquired Autoimmune Hemolytic Anemia0
1
2013201311.0low000010
Acrania0
8
2005201912.2low000350
Acroosteolysis, Giaccai Type0
8
2004201911.9low100260
Actinic Reticuloid Syndrome0
1
1996199628.0low001000
Acute Bacterial Prostatitis0
1
2011201113.0low000010
Acute Brain Injuries0
14
2001202210.4low000392
Acute Chest Syndrome0
1
202120213.0low000001
Acute Confusional Senile Dementia0
33
201020236.4low0001239
Acute Coronary Syndrome0
5
201020209.0low100140
Acute Disease0
26
1995202216.2low1051191
Acute Edematous Pancreatitis0
7
201220235.4low000043
Acute Hepatic Failure0
3
201520168.3low000030
Acute Ischemic Stroke0
6
202120222.8low000006
Acute Kidney Failure0
13
1995202213.2low002281
Acute Kidney Injury0
13
1995202213.2low002281
Acute Kidney Tubular Necrosis0
1
2004200420.0low000100
Acute Liver Injury, Drug-Induced0
22
1994202215.9low1021352
Acute Lung Injury0
22
200820229.5low0003163
Acute Lung Injury, Transfusion-Related0
1
202120213.0low000001
Acute Lymphoid Leukemia0
5
1992202218.4low002111
Acute Myelogenous Leukemia0
14
1986202211.6low0101111
Acute Necrotizing Encephalitis, Herpetic0
1
201520159.0low000010
Acute Necrotizing Pancreatitis0
1
2008200816.0low000100
Acute Onset Vascular Dementia0
1
202120213.0low000001
Acute Promyelocytic Leukemia0
17
1989200730.5low0313100
Acute Relapsing Multiple Sclerosis0
152
2006202311.2low2200211283
Acute Respiratory Distress Syndrome0
10
2001202213.8low000631
Addison Disease and Cerebral Sclerosis0
1
1994199430.0low001000
Adenitis, Salivary Gland0
1
202220222.0low000001
Adenocarcinoma0
20
1995202217.3low004961
Adenocarcinoma Of Kidney0
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Adenocarcinoma, Alveolar0
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1
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Adrenal Cortex Cancer0
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Adrenal Insufficiency0
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Adrenoleukodystrophy0
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Adult GM1 Gangliosidosis0
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1992199232.0low001000
Adult Neuronal Ceroid Lipofuscinosis0
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Adult Sandhoff Disease0
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Affective Disorders, Psychotic0
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African Lymphoma0
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Age-Related Macular Degeneration0
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Aggressive Natural Killer Cell Leukemia0
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Aggressive Systemic Mastocytosis0
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Aging0
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Aging, Premature0
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2012201212.0low000010
AIDS, Simian0
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Airflow Obstruction, Chronic0
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Airway Remodeling0
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Akinetic-Rigid Variant of Huntington Disease0
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Albuminuria0
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Alcohol Drinking0
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Alcohol Related Neurodevelopmental Disorder0
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Alcoholic Cirrhosis0
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Alcoholic Intoxication0
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Alcoholic Liver Diseases0
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Allergic Conjunctivitis0
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Allergic Contact Dermatitis0
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Allergic Encephalomyelitis0
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Allergic Neuritis, Experimental0
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Allergic Reaction0
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Allergic Rhinitis0
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Allergy, Food0
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2007201313.6low000320
Allodynia0
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Alloxan Diabetes0
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1998202312.6low0029162
Alpers Diffuse Degeneration of Cerebral Gray Matter with Hepatic Cirrhosis0
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Alpha-Fucosidase Deficiency0
1
1998199826.0low001000
alpha-Galactosidase A Deficiency0
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1974202016.6low010240
Altitude Hypoxia0
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Altitude Sickness0
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Alveolar Soft Part Sarcoma0
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2014201410.0low000010
Alveolitis, Fibrosing0
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Alzheimer Disease0
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Amaurosis0
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Amaurotic Familial Idiocy0
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Amenorrhea0
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American Trypanosomiasis0
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Amino Acid Metabolism Disorders, Inborn0
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Amnionitis0
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Amyloid Deposits0
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Anaphylactic Reaction0
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Anaphylaxis0
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Anaplastic Astrocytoma0
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Anaplastic Oligodendroglioma0
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Anasarca0
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ANCA-Associated Vasculitides0
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Androgen-Independent Prostatic Cancer0
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Anemia0
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Anemia, Aplastic0
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Anemia, Hemolytic, Autoimmune0
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Anemia, Hypoplastic0
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Anemia, Sickle Cell0
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Anesthesia0
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Anesthesia Related Hyperthermia0
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1999199925.0low001000
Aneuploid0
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Angiitis0
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Angina Pectoris, Stable0
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Angina, Stable0
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Angioblastic Meningioma0
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Angioedema0
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Angiogenesis, Pathologic0
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Angiohemophilia0
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Angioma, Sclerosing0
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Angiomyolipoma0
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Angioneurotic Edema0
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Angiospasm, Intracranial0
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Angiostrongylus Infections0
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Anomalous Ventricular Excitation Syndrome0
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Anorexia0
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Anoxia-Ischemia, Brain0
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Anoxia, Brain0
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Anterior Cerebral Circulation Infarction0
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Anterior Choroidal Artery Infarction0
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Anterior Circulation Transient Ischemic Attack0
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Anterior Optic Neuritis0
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Anti-GBM Disease0
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Antibody Deficiency Syndrome0
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Aortic Diseases0
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Aortic Valve Stenosis0
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Apnea, Obstructive Sleep0
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Apolipoprotein B-100, Familial Defective0
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Apoplexy0
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Aqueductal Stenosis0
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Arterial Diseases, Carotid0
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Arteriosclerosis0
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Arteriosclerosis, Coronary0
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Aspergillosis0
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Aspergillus Infection0
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Aspirin Induced Asthma0
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Asthenia0
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Asthma0
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Asthma, Bronchial0
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Astroblastoma0
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Astrocytoma0
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Astrocytoma, Grade IV0
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Astrocytosis0
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Asymmetric Diabetic Proximal Motor Neuropathy0
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Asystole0
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Ataxia0
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Atrial Fibrillation0
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Atrioventricular Block0
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Atrioventricular Conduction Block0
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Auricular Fibrillation0
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Autoimmune Diabetes0
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Autoimmune Disease0
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Autoimmune Experimental Myasthenia Gravis0
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Brain Inflammation0
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Brain Swelling0
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Brain Thrombosis0
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Brain Vascular Disorders0
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Branch Vein Occlusion0
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Break-Bone Fever0
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Breast Cancer0
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Breast Neoplasms0
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Bright Disease0
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Bronchial Hyperreactivity0
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Bronchiolitis Obliterans0
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Bronchiolitis, Exudative0
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Bronchitis0
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Bronchopulmonary Dysplasia0
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Bronze Diabetes0
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Brown Tendon Sheath Syndrome0
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Brucella Infection0
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Brucellosis0
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Burkholderia pseudomallei Infection0
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Burkitt Lymphoma0
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Burns0
2
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Burns, Chemical0
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C gattii Infection0
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Cadaver0
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Calcification, Pathologic0
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Caliciviridae Infections0
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Cancer of Cervix0
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Cancer of Colon0
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Cancer of Endometrium0
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Cancer of Esophagus0
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Cancer of Eye0
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Cancer of Gastrointestinal Tract0
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Cancer of Head0
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Cancer of Kidney0
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Cancer of Lip0
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Cancer of Liver0
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Cancer of Lung0
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Cancer of Mouth0
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Cancer of Pancreas0
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Cancer of Prostate0
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Cancer of Rectum0
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Cardiac Diseases0
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Cardiac Failure0
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Cardiac Output, Low0
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Cardiac Remodeling, Ventricular0
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Cardiac Rupture, Traumatic0
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Cardiac Toxicity0
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Cardiometabolic Syndrome0
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Cardiomyopathies0
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Cardiomyopathy, Chagas0
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Cardiotoxicity0
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Cardiovascular Abnormalities0
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Cardiovascular Diseases0
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Cardiovascular Stroke0
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Carditis0
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Carotid Arteriopathies, Traumatic0
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Carotid Artery Diseases0
3
2000201616.3low001110
Carotid Artery Narrowing0
2
201320169.5low000020
Carotid Stenosis0
2
201320169.5low000020
Cat Diseases0
1
2012201212.0low000010
Cataract0
2
1975201429.5low010010
Cataract, Membranous0
2
1975201429.5low010010
CD4-Positive T-Lymphocytopenia, Idiopathic0
1
2005200519.0low000100
Cell Transformation, Neoplastic0
26
1972202021.4low0547100
Cell Transformation, Viral0
1
2005200519.0low000100
Cells, Neoplasm Circulating0
1
2003200321.0low000100
Central European Encephalitis0
1
2014201410.0low000010
Central Hypothyroidism0
2
1972199938.5low011000
Central Nervous System Disease0
5
200320219.2low000131
Central Nervous System Diseases0
5
200320219.2low000131
Central Nervous System Infection0
1
2012201212.0low000010
Central Nervous System Lupus0
1
201820186.0low000010
Central Nervous System Neoplasm0
1
2009200915.0low000100
Central Nervous System Neoplasms0
1
2009200915.0low000100
Central Retinal Edema, Cystoid0
14
2008201411.9low3002120
Centriacinar Emphysema0
3
201020208.3low000120
Cerebellar Ataxia0
1
201520159.0low000010
Cerebral Arterial Diseases0
1
202120213.0low000001
Cerebral Hemorrhage0
10
200920229.8low100181
Cerebral Infarction0
4
1994201621.0low002110
Cerebral Infarction, Middle Cerebral Artery0
16
200120229.6low000574
Cerebral Ischemia0
30
1994202210.3low1027174
Cerebral Malaria0
3
2011201411.7low000030
Cerebral Primitive Neuroectodermal Tumor0
1
2004200420.0low000100
Cerebro-Hepato-Renal Syndrome0
1
1994199430.0low001000
Cerebromalacia0
1
1992199232.0low001000
Cerebromeningitis0
1
2012201212.0low000010
Cerebrovascular Disorders0
8
1999202110.2low001052
Chagas Cardiomyopathy0
1
201720177.0low000010
Chagas Disease0
5
1997201914.6low001130
Charcot-Marie-Tooth Disease0
2
201720196.0low000020
Chediak-Higashi Syndrome0
1
2011201113.0low000010
Chemical and Drug Induced Liver Injury0
22
1994202215.9low1021352
Chemical and Drug Induced Liver Injury, Chronic0
1
201720177.0low000010
Cherry Red Spot Myoclonus Syndrome0
2
2011201113.0low000020
Chest Pain0
1
2012201212.0low000010
Chickungunya Fever0
1
202220222.0low000001
Cholangiitis, Sclerosing0
1
201720177.0low000010
Cholangiocarcinoma0
3
201420178.7low000030
Cholangiocellular Carcinoma0
3
201420178.7low000030
Cholangitis, Sclerosing0
1
201720177.0low000010
Cholera Infantum0
1
2012201212.0low000010
Cholestasis0
2
2009201711.0low000110
Choline Deficiency0
1
1994199430.0low001000
Chondrosarcoma0
2
201720196.0low000020
Chorioamnionitis0
1
2014201410.0low000010
Choriocarcinoma0
1
2000200024.0low001000
Choroid Neovascularization0
4
2009201713.0low000310
Chromosomal Translocation0
1
202220222.0low000001
Chromosome Deletion0
1
2011201113.0low000010
Chromosome-Defective Micronuclei0
2
1999201019.5low001100
Chronic Disease0
18
2003201814.3low1001170
Chronic Fatigue and Immune Dysfunction Syndrome0
1
201720177.0low000010
Chronic Hepatitis0
1
2008200816.0low000100
Chronic Hepatitis B0
1
201520159.0low000010
Chronic Hepatitis C0
5
201020237.0low000122
Chronic Illness0
18
2003201814.3low1001170
Chronic Kidney Diseases0
8
201320235.1low000062
Chronic Kidney Failure0
8
200820238.8low200242
Chronic Lung Injury0
17
200420229.7low0005102
Chronic Pain0
1
202020204.0low000010
Chronic Pancreatitis0
1
2005200519.0low000100
Chronic Primary Open Angle Glaucoma0
1
2011201113.0low000010
Chronic Progressive Multiple Sclerosis0
8
2010201710.2low100170
Cicatrix0
2
201320198.0low000020
Cicatrix, Hypertrophic0
1
202020204.0low000010
Cicatrization0
2
201320198.0low000020
Circulatory Collapse0
2
202020223.0low000011
Cirrhoses, Experimental Liver0
1
2013201311.0low000010
Cirrhosis0
53
200420238.6low100132515
Cirrhosis, Liver0
26
200820228.7low0005201
CJD (Creutzfeldt-Jakob Disease)0
2
1978197945.5low020000
Classic Globoid Cell Leukodystrophy0
21
1969201535.5low0134310
Classical Niemann-Pick Disease0
4
2007201811.0low100220
Clinically Isolated CNS Demyelinating Syndrome0
15
1990201513.1low0012120
Clostridium tetani Infection0
1
1972197252.0low010000
Co-infection0
1
201620168.0low000010
Coagulation Disorders, Blood0
1
201720177.0low000010
Coagulation, Disseminated Intravascular0
1
201820186.0low000010
Coats Disease0
1
201920195.0low000010
Coenuri Infection0
1
201820186.0low000010
Cognition Disorders0
4
201020199.5low000130
Cognitive Decline0
5
201720224.0low000032
Cognitive Dysfunction0
5
201720224.0low000032
Cold Injury0
1
202320231.0low000001
Cold Panniculitis0
1
2008200816.0low000100
Colitis0
23
2004202211.1low00010121
Colitis Gravis0
14
200720236.1low000266
Colitis-Associated Cancer0
1
202020204.0low000010
Colitis, Granulomatous0
4
200820209.2low000130
Colitis, Ulcerative0
14
200720236.1low000266
Collodion Baby Syndrome0
1
1993199331.0low001000
Colonic Inertia0
1
202120213.0low000001
Colonic Neoplasms0
50
1976202314.9low02223203
Colonic Polyps0
1
201520159.0low000010
Colorectal Cancer0
13
200320238.2low000283
Colorectal Neoplasms0
13
200320238.2low000283
Communicable Diseases0
1
201620168.0low000010
Community Acquired Infection0
4
201220226.0low100031
Complete Trisomy 18 Syndrome0
1
201920195.0low000010
Complex Partial Epilepsy0
1
2009200915.0low000100
Complication, Postoperative0
8
1999201317.4low201520
Complications of Diabetes Mellitus0
5
2009201711.6low000230
Complications, Pregnancy0
6
1972201417.5low010050
Condition, Preneoplastic0
1
2006200618.0low000100
Congenital Icthyosis Mental Retardation Spasticity Syndrome0
4
1993201416.0low001030
Congenital Zika Syndrome0
2
201720205.5low000020
Congestive Ophthalmopathy0
4
201620187.0low000040
Conjugate Nystagmus0
1
2013201311.0low000010
Conjunctivitis, Allergic0
1
2009200915.0low000100
Constipation0
1
202120213.0low000001
Constriction, Pathologic0
5
200920228.6low000131
Constriction, Pathological0
5
200920228.6low000131
Contact Dermatitis0
4
2004201215.0low000220
Contracture0
1
2013201311.0low000010
Contusions0
1
201520159.0low000010
Convalescence0
1
2013201311.0low000010
Convulsions, Grand Mal0
1
2012201212.0low000010
Cornea Injuries0
1
202320231.0low000001
Corneal Diseases0
1
201620168.0low000010
Corneal Injuries0
1
202320231.0low000001
Coronary Artery Disease0
24
199920229.8low1012201
Coronary Artery Vasospasm0
1
1996199628.0low001000
Coronary Disease0
8
1999202211.6low101142
Coronary Heart Disease0
8
1999202211.6low101142
Coronary Occlusion0
1
2011201113.0low000010
Coronary Restenosis0
1
201520159.0low000010
Coronary Vasospasm0
1
1996199628.0low001000
Coronavirus Infections0
4
202020204.0low000040
Corpus Luteum Cyst0
1
201820186.0low000010
Cough0
1
201820186.0low000010
Coxsackie Virus Infections0
1
201720177.0low000010
Cranial Nerve II Diseases0
1
2013201311.0low000010
Craniofacial Abnormalities0
1
2012201212.0low000010
Creutzfeldt-Jakob Syndrome0
2
1978197945.5low020000
Critical Illness0
1
202020204.0low000010
Crohn Disease0
4
200820209.2low000130
Cronobacter Infections0
1
2012201212.0low000010
Cryptococcosis0
3
2011201511.3low000030
Cryptogenic Fibrosing Alveolitis0
8
201220225.9low000053
Curling Ulcer0
1
2005200519.0low000100
Cystadenocarcinoma, Serous0
1
201620168.0low000010
Cystic Fibrosis0
12
201420235.6low200093
Cystic Fibrosis of Pancreas0
12
201420235.6low200093
Cysticercosis0
1
201820186.0low000010
Cystitis0
1
201720177.0low000010
Cystitis, Interstitial0
1
202020204.0low000010
Cytokine Release Syndrome0
1
202020204.0low000010
Cytomegalovirus0
2
2008201811.0low000110
DDD MPGNII0
2
2007201214.5low000110
Deaf Mutism0
2
2007200717.0low000200
Deafness0
2
2007200717.0low000200
Deafness, Transitory0
3
2010201610.7low000120
Death, Sudden0
2
2012201411.0low000020
Death, Sudden, Cardiac0
1
2012201212.0low000010
Debility0
1
202120213.0low000001
Deep Vein Thrombosis0
2
202120213.0low000002
Deficiency, Folic Acid0
1
2003200321.0low000100
Deficiency, Mental0
2
201420197.5low000020
Deficiency, Vitamin A0
1
1976197648.0low010000
Deficiency, Vitamin B0
1
1973197351.0low010000
Degenerative Disc Disease0
1
202120213.0low000001
Degenerative Diseases, Central Nervous System0
16
199920227.2low001276
Delayed Effects, Prenatal Exposure0
4
2000201414.5low001030
Delayed Graft Function0
1
2014201410.0low000010
Delayed Hypersensitivity0
3
2000201216.7low101110
Dementia Praecox0
1
202120213.0low100001
Dementia, Vascular0
1
202120213.0low000001
Demyelinating Diseases0
15
1990201513.1low0012120
Dengue0
2
201420159.5low000020
Dengue Hemorrhagic Fever0
2
201420159.5low000020
Depression0
3
201120207.7low100030
Dermatitis0
7
1988202311.0low010123
Dermatitis, Allergic Contact0
2
2009200915.0low000200
Dermatitis, Atopic0
21
1996202314.6low0021063
Dermatitis, Contact0
4
2004201215.0low000220
Dermatitis, Eczematous0
2
201820214.5low000011
Dermatosclerosis0
1
2013201311.0low000010
Dermatoses0
9
1992202313.1low001422
Developmental Psychomotor Disorders0
1
2013201311.0low000010
Devic Disease0
6
2012201311.2low000060
Diabetes Insipidus and Mellitus with Optic Atrophy and Deafness0
1
201720177.0low000010
Diabetes Mellitus0
22
1998202310.6low0015133
Diabetes Mellitus, Adult-Onset0
49
200520236.9low20052915
Diabetes Mellitus, Gestational0
1
202220222.0low000001
Diabetes Mellitus, Type 10
30
1998202213.8low00311151
Diabetes Mellitus, Type 20
49
200520236.9low20052915
Diabetes, Gestational0
1
202220222.0low000001
Diabetic Angiopathies0
3
2008201412.3low000120
Diabetic Cardiomyopathies0
2
2012201610.0low000020
Diabetic Glomerulosclerosis0
16
2005202310.8low0004102
Diabetic Nephropathies0
16
2005202310.8low0004102
Diabetic Neuropathies0
4
2010201610.0low000130
Diabetic Retinopathy0
3
201420227.0low000021
Diarrhea0
4
2007201114.2low000220
Diathesis0
12
200520228.6low000282
Diffuse Large B-Cell Lymphoma0
4
201220198.8low000040
Diffuse Lymphocytic Lymphoma, Poorly-Differentiated0
6
2010202010.2low000150
Diffuse Mixed Small and Large Cell Lymphoma0
1
201520159.0low000010
Dilatation, Pathologic0
1
2012201212.0low000010
Disbacteriosis0
2
201720224.5low000011
Disease0
8
2006202113.6low000611
Disease Exacerbation0
71
1999202110.9low70114533
Disease Models, Animal0
389
1976202311.4low03712023029
Disease Resistance0
5
2011201610.0low000050
Disease, Pulmonary0
6
2003201613.3low000240
Diseases of Immune System0
4
2008202110.8low000211
Diseases, Metabolic0
6
201420235.5low000042
Diseases, Occupational0
1
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Diseases, Peripheral Vascular0
1
2009200915.0low000100
Disseminated Intravascular Coagulation0
1
201820186.0low000010
Down Syndrome0
1
201920195.0low000010
Drug Overdose0
2
2012201411.0low000020
Drug Refractory Epilepsy0
1
201820186.0low000010
Drug Withdrawal Symptoms0
1
2013201311.0low000010
Drug-Related Side Effects and Adverse Reactions0
5
2006201712.2low200140
Dry Eye0
1
201720177.0low000010
Dry Eye Syndromes0
1
201720177.0low000010
Duncan Disease0
1
2007200717.0low000100
Duodenal Ulcer0
1
2005200519.0low000100
Dupuytren Contracture0
1
2010201014.0low000100
Dupuytren's Contracture0
1
2010201014.0low000100
Dyskinesia Syndromes0
1
2013201311.0low000010
Dyskinesia, Drug-Induced0
1
1999199925.0low001000
Dyskinesia, Medication-Induced0
1
1999199925.0low001000
Dyslipidemia0
11
200720227.4low000173
Dyslipidemias0
11
200720227.4low000173
Dyspnea0
1
201720177.0low000010
E coli Infections0
1
2002200222.0low000100
Ebola Hemorrhagic Fever0
2
201720234.0low000011
EBV Infections0
1
201720177.0low000010
Ectopic Junctional Tachycardia0
1
201520159.0low000010
Ectopic Pregnancy0
1
2013201311.0low000010
Eczema0
2
201820214.5low000011
Eczema Herpeticum0
1
2014201410.0low000010
Eczema, Atopic0
21
1996202314.6low0021063
Edema0
13
1999202115.1low003361
Edema-Proteinuria-Hypertension Gestosis0
6
201420233.7low000024
Edema, Fetal0
1
2000200024.0low001000
Edema, Pulmonary0
19
1999202114.7low0021061
EHS Tumor0
1
1972197252.0low010000
Electrolytes0
2
1998201418.0low001010
Elevated Cholesterol0
8
1976201915.5low010340
Embolism0
1
2002200222.0low000100
Embolism, Pulmonary0
1
202120213.0low000001
Embolus0
1
2002200222.0low000100
Embryopathies0
1
1988198836.0low010000
Emphysema0
2
2005201315.0low000110
Encephalitis0
8
2009201611.4low100260
Encephalitis, Herpes Simplex0
1
201520159.0low000010
Encephalitis, Herpes Zoster0
5
2012201511.0low000050
Encephalitis, JC Polyomavirus0
9
2009201411.6low000180
Encephalitis, Polio0
1
2011201113.0low000010
Encephalitis, Viral0
1
2014201410.0low000010
Encephalomyelitis0
2
200920209.5low000110
Encephalomyelitis, Inflammatory0
2
200920209.5low000110
Encephalopathy, Toxic0
4
2007202010.8low000130
Encephalopathy, Traumatic0
1
201620168.0low000010
Endometrial Neoplasms0
1
2005200519.0low000100
Endometrioma0
10
200920235.1low000136
Endometriosis0
10
200920235.1low000136
Endotoxemia0
5
200820219.6low000221
Endotoxin Shock0
4
201520234.8low100022
Enlarged Liver0
1
2006200618.0low000100
Enterically-Transmitted Non-A, Non-B Hepatitis0
1
2012201212.0low000010
Enteritis0
1
2013201311.0low000010
Enterobacteriaceae Infections0
1
2012201212.0low000010
Eosinophilia0
2
2009201810.5low000110
Eosinophilia, Tropical0
2
2009201810.5low000110
Epilepsies, Myoclonic0
1
2003200321.0low000100
Epilepsies, Partial0
1
2012201212.0low000010
Epilepsy0
2
201220179.5low000020
Epilepsy, Complex Partial0
1
2009200915.0low000100
Epilepsy, Tonic-Clonic0
1
2012201212.0low000010
Epiretinal Membrane0
1
202220222.0low000001
Epithelial Neoplasms0
5
2004201513.8low000230
Epithelial Ovarian Cancer0
4
201320228.2low000031
Epstein-Barr Virus Infections0
1
201720177.0low000010
Equine Diseases0
4
1992202219.5low002101
ER-Negative PR-Negative HER2-Negative Breast Cancer0
9
201520225.8low000081
Erectile Dysfunction0
2
201120227.5low000011
Erythrophagocytic Lymphohistiocytosis, Familial0
1
2013201311.0low000010
Escherichia coli Infections0
1
2002200222.0low000100
Escherichia coli Meningitis0
1
201620168.0low000010
Esophageal Neoplasms0
9
1994201718.7low002520
Esophageal Stenosis0
1
2004200420.0low000100
Esophageal Stricture0
1
2004200420.0low000100
Ewing Sarcoma0
1
2004200420.0low000100
Exertional Heat Illness0
3
1998200423.7low002100
Experimental Hepatoma0
20
1979201324.0low0321410
Experimental Leukemia0
4
1990201228.0low003010
Experimental Lung Inflammation0
29
200420238.7low1007148
Experimental Mammary Neoplasms0
8
2002201713.0low000260
Experimental Neoplasms0
12
1975202122.9low024231
Experimental Radiation Injuries0
6
2008202012.0low000240
Experimental Spinal Cord Ischemia0
1
202220222.0low000001
Extravascular Hemolysis0
16
1988201720.3low024460
Eye Abnormalities0
2
2005201315.0low000110
Eye Cancer, Retinoblastoma0
5
1990201924.0low004010
Eye Diseases0
1
2012201212.0low000010
Eye Disorders0
1
2012201212.0low000010
Fabry Disease0
7
1974202016.6low010240
Fatigue0
1
2011201113.0low100010
Fatigue Syndrome, Chronic0
1
201720177.0low000010
Fatty Liver0
14
1994202210.7low0012101
Fatty Liver, Nonalcoholic0
14
201420235.7low0000122
Fetal Resorption0
1
1996199628.0low001000
Fever0
1
2000200024.0low001000
Fibroid0
2
2007201115.0low000110
Fibrosarcoma0
6
1999200921.3low002400
Fibrosis0
53
200420238.6low100132515
FMR1-Related Primary Ovarian Insufficiency0
2
201220179.5low000020
Focal Segmental Glomerulosclerosis0
2
2004200718.5low000200
Folic Acid Deficiency0
1
2003200321.0low000100
Follicular Thyroid Carcinoma0
3
2008201512.0low000120
Food Hypersensitivity0
5
2007201313.6low000320
Food Poisoning0
2
2010201014.0low000200
Fowl Paralysis0
1
2012201212.0low000010
Fractures, Bone0
1
201620168.0low000010
Fucosidosis0
1
1998199826.0low001000
Fungal Diseases0
1
202120213.0low000001
Fungus Poisoning0
1
2010201014.0low000100
G(M2) Gangliosidoses0
1
2012201212.0low000010
Ganglioside Storage Diseases0
1
1991199133.0low001000
Gangliosidoses0
1
1991199133.0low001000
Gangliosidoses, GM20
1
2012201212.0low000010
Gangliosidosis, GM10
1
1992199232.0low001000
Gas Gangrene0
1
1972197252.0low010000
Gastric Ulcer0
1
2005200519.0low000100
Gastritis0
1
2004200420.0low000100
Gastrointestinal Stromal Neoplasm0
1
2011201113.0low000010
Gastrointestinal Stromal Tumors0
1
2011201113.0low000010
Gaucher Disease0
36
1972202033.2low0202950
Genetic Predisposition0
13
2003202210.1low0002101
Genome Instability0
1
201920195.0low000010
Germinoblastoma0
6
1990200425.2low003300
Glaucoma0
3
201320179.3low000030
Glaucoma, Open-Angle0
1
2011201113.0low000010
Glaucoma, Suspect0
1
2014201410.0low000010
Glial Cell Tumors0
36
1990202221.2low00151812
Glioblastoma0
36
1986202312.1low11112193
Glioma0
36
1990202221.2low00151812
Glomerulonephritis0
2
2005201414.5low000110
Glomerulonephritis, IGA0
2
201520197.0low000020
Glomerulonephritis, Lupus0
2
2007201015.5low000200
Glomerulonephritis, Membranoproliferative0
2
2007201214.5low000110
Glomerulosclerosis, Focal Segmental0
2
2004200718.5low000200
Glucose Intolerance0
5
201220237.4low000032
Gonorrhea0
1
202020204.0low000010
Graft Occlusion, Vascular0
2
2009201810.5low000110
Graft vs Host Disease0
16
1998202116.1low002941
Graft-Versus-Host Disease0
16
1998202116.1low002941
Gram-Negative Bacterial Infections0
2
201220198.5low000020
Gram-Positive Bacterial Infections0
2
2012201411.0low000020
Granulocytic Leukemia0
15
1990201525.2low0011130
Granulocytic Leukemia, Chronic0
9
1998201316.2low001440
Granuloma0
3
201220198.7low000030
Granuloma, Hodgkin0
1
201620168.0low000010
Granulomas0
3
201220198.7low000030
Graves Ophthalmopathy0
4
201620187.0low000040
Grippe0
7
200920226.0low000124
Growth Disorders0
1
1989198935.0low010000
Hangman Fracture0
1
2012201212.0low000010
Hantavirus Pulmonary Syndrome0
1
2013201311.0low000010
HbS Disease0
8
201420216.9low000071
Head and Neck Neoplasms0
8
2002201912.5low100260
Headache0
2
2010201213.0low000110
Hearing Loss0
3
2010201610.7low000120
Heart Arrest0
2
2011201312.0low000020
Heart Defects, Congenital0
4
1973201423.0low010210
Heart Disease, Ischemic0
23
1995202115.0low0039101
Heart Diseases0
12
1973202212.7low110191
Heart Failure0
22
2001202211.8low0007123
Heart Failure, Systolic0
3
201220207.7low000030
Helicobacter Infections0
1
1999199925.0low001000
Hematologic Malignancies0
10
2010202210.2low000181
Hematologic Neoplasms0
10
2010202210.2low000181
Hematoma0
1
2014201410.0low000010
Hemochromatosis0
1
201820186.0low000010
Hemoglobinuria, Paroxysmal0
1
2012201212.0low000010
Hemolysis0
16
1988201720.3low024460
Hemorrhage0
6
1958202215.8low010041
Hemorrhage, Subarachnoid0
9
2008202011.1low100270
Hemorrhagic Fever, Ebola0
2
201720234.0low000011
Hemorrhagic Shock0
6
200420199.8low000150
Hemorrhagic Thrombocythemia0
1
2013201311.0low000010
Hepatic Failure0
2
201720177.0low000020
Hepatitis0
2
2005201315.0low000110
Hepatitis B0
1
201620168.0low000010
Hepatitis B Virus Infection0
1
201620168.0low000010
Hepatitis B, Chronic0
1
201520159.0low000010
Hepatitis C0
6
200820237.3low000132
Hepatitis C, Chronic0
5
201020237.0low000122
Hepatitis E0
1
2012201212.0low000010
Hepatitis, Animal0
1
2005200519.0low000100
Hepatitis, Chronic0
1
2008200816.0low000100
Hepatitis, Viral, Animal0
1
201620168.0low000010
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted0
6
200820237.3low000132
Hepatocellular Carcinoma0
51
1975202214.2low02515245
Hereditary Sensory and Autonomic Neuropathies0
8
2004201911.9low100260
Herpes Simplex0
3
1998201216.7low001020
Herpes Simplex Keratitis0
2
2008201413.0low000110
Herpes Simplex Virus Infection0
3
1998201216.7low001020
Herpes Zoster0
6
2011201511.0low100060
Hidradenitis Suppurativa0
1
201720177.0low000010
Histiocytoma, Benign Fibrous0
1
1998199826.0low001000
HIV0
1
2013201311.0low000010
HIV Coinfection0
9
200920227.7low000162
HIV Infections0
9
200920227.7low000162
Hodgkin Disease0
1
201620168.0low000010
Hormone-Dependent Neoplasms0
2
2002200520.5low000200
Huntington Disease0
6
201420216.2low000051
Hypercapnia0
1
1993199331.0low001000
Hypercholesterolemia0
8
1976201915.5low010340
Hyperglycemia0
7
2009201910.1low000160
Hyperglycemia, Postprandial0
7
2009201910.1low000160
Hypergonadotropic Hypogonadism0
1
2014201410.0low000010
Hyperlipemia0
1
2001200123.0low000100
Hyperlipidemias0
1
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Hyperlipoproteinemia Type II0
4
1986201718.2low010120
Hyperoxia0
5
201320228.0low000041
Hyperparathyroidism, Secondary0
1
2012201212.0low000010
Hyperplasia0
11
2000202014.5low001550
Hyperprolactinaemia0
1
1988198836.0low010000
Hyperprolactinemia0
1
1988198836.0low010000
Hypersensitivity0
14
200720229.9low0003101
Hypertension0
31
199520228.9low0014197
Hypertension, Pulmonary0
9
200920218.2low000171
Hyperthyroid0
2
2013201510.0low000020
Hyperthyroidism0
2
2013201510.0low000020
Hypertriglyceridemia0
1
201620168.0low000010
Hypertrophy0
5
1999202012.4low001130
Hypertrophy, Left Ventricular0
1
2010201014.0low000100
Hypertrophy, Right Ventricular0
1
2001200123.0low000100
Hypogonadism0
1
2014201410.0low000010
Hypomelanosis0
2
2011201212.5low000020
Hypopigmentation0
2
2011201212.5low000020
Hypotension0
3
2007201711.3low000120
Hypothermia0
1
202220222.0low000001
Hypothermia, Accidental0
1
202220222.0low000001
Hypothyroidism0
2
1972199938.5low011000
Hypoxia0
24
200820237.8low0002193
Hypoxia-Ischemia, Brain0
5
2001201414.8low000320
Ichthyosis0
2
1993202316.0low001001
Ichthyosis Simplex0
1
1993199331.0low001000
Ichthyosis, Lamellar0
1
1993199331.0low001000
Ichthyosis, Sex-Linked0
1
1993199331.0low001000
Idiopathic Parkinson Disease0
13
1993202110.2low001264
Idiopathic Pulmonary Fibrosis0
8
201220225.9low000053
Ileitis0
1
202020204.0low000010
Ileus0
3
2006201314.3low000210
Immune Reconstitution Disease0
1
2014201410.0low000010
Immune System Diseases0
4
2008202110.8low000211
Immunologic Deficiency Syndromes0
1
1991199133.0low001000
Impaired Glucose Tolerance0
5
201220237.4low000032
Impetigo0
1
201920195.0low000010
Impetigo Contagiosa0
1
201920195.0low000010
Impotence0
2
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Inadequate Sleep0
1
1994199430.0low001000
Inborn Errors of Metabolism0
2
1972201132.5low010010
Infant Malnutrition0
1
1972197252.0low010000
Infantile Respiratory Distress Syndrome0
1
2014201410.0low000010
Infarction, Middle Cerebral Artery0
16
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Infection0
5
2003201614.2low200230
Infection, Postoperative Wound0
1
202020204.0low000010
Infection, Toxoplasma gondii0
1
2014201410.0low000010
Infections0
5
2003201614.2low200230
Infections, Coronavirus0
4
202020204.0low000040
Infections, Helicobacter0
1
1999199925.0low001000
Infections, Legionella pneumophila0
1
201620168.0low000010
Infections, Listeria0
1
202220222.0low000001
Infections, Orthomyxoviridae0
8
200820219.8low000251
Infections, Plasmodium0
4
200520227.0low000112
Infections, Pseudomonas0
8
201420207.2low000080
Infections, Respiratory0
2
2006201414.0low100110
Infections, Respiratory Syncytial Virus0
1
2004200420.0low000100
Infections, Staphylococcal0
4
201320226.0low000031
Infections, Staphylococcal Skin0
3
2006201413.0low000120
Infections, Trichomonas0
1
1952195272.0low010000
Infectious Diseases0
1
201620168.0low000010
Infectious Myelitis0
2
2009201313.0low000110
Infertility0
1
201820186.0low000010
Infertility, Female0
4
2001201117.0low000310
Infertility, Male0
1
2011201113.0low100010
Inflammation0
274
199620239.6low0075616546
Inflammatory Bowel Diseases0
29
200620237.3low0005159
Influenza, Human0
7
200920226.0low000124
Injuries0
4
1996201915.2low001120
Injuries, Radiation0
1
202020204.0low000010
Injuries, Spinal Cord0
8
2007202210.6low000341
Injury, Ischemia-Reperfusion0
84
1994202213.4low00636384
Injury, Myocardial Reperfusion0
48
1995202014.0low00520230
Innate Inflammatory Response0
274
199620239.6low0075616546
Insulin Coma0
1
1972197252.0low010000
Insulin Resistance0
45
1989202211.2low1219276
Insulin Sensitivity0
45
1989202211.2low1219276
Insulinoma0
5
1998201416.2low001130
Intellectual Disability0
2
201420197.5low000020
Interstitial Cell Tumor0
1
1997199727.0low001000
Interstitial Nephritis0
3
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Intervertebral Disc Degeneration0
1
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Intestinal Diseases0
3
201220208.7low100030
Intestinal Neoplasms0
3
2001201117.7low000210
Intestinal Perforation0
1
2013201311.0low000010
Intracranial Hemorrhages0
1
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Intraepithelial Prostatic Neoplasia0
2
2007200916.0low000200
Intraocular Pressure0
4
2009201312.8low000130
Invasiveness, Neoplasm0
55
1992202014.3low10622270
Iron Overload0
1
201820186.0low000010
Ischemia0
20
1997202312.2low0011063
Ischemic Attack, Transient0
5
1999202111.8low001031
Ischemic Stroke0
6
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Itching0
7
2008202011.1low000340
Joint Diseases0
1
2008200816.0low000100
Kahler Disease0
11
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Kaposi Sarcoma0
2
201520187.5low000020
Keloid0
4
2004202211.5low000211
Keratitis0
1
2008200816.0low000100
Keratitis, Herpetic0
2
2008201413.0low000110
Keratoconus0
1
201720177.0low000010
Kidney Diseases0
18
1994202115.2low0011232
Kidney Failure0
1
2013201311.0low000010
Kidney Failure, Chronic0
8
200820238.8low200242
Kidney Neoplasms0
13
1993202213.7low002452
Kidney Tubular Necrosis, Acute0
1
2004200420.0low000100
Kidney, Polycystic0
1
2012201212.0low000010
Koch's Disease0
4
201020238.5low000211
Labor, Premature0
1
2014201410.0low000010
Lassitude0
1
2011201113.0low100010
Leanness0
1
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Learning Disabilities0
1
2014201410.0low000010
Left Ventricular Dysfunction0
1
201820186.0low000010
Left Ventricular Hypertrophy0
1
2010201014.0low000100
Leiomyoma0
2
2007201115.0low000110
Leishmania Infection0
1
2013201311.0low000010
Leishmaniasis0
1
2013201311.0low000010
Leishmaniasis, American0
1
2010201014.0low000100
Leishmaniasis, Cutaneous0
1
2010201014.0low000100
Leishmaniasis, Visceral0
1
2014201410.0low000010
Leucocythaemia0
31
1992201920.3low00101470
Leukemia0
31
1992201920.3low00101470
Leukemia L51780
1
1997199727.0low001000
Leukemia P3880
3
1997201021.7low002100
Leukemia-Lymphoma, Adult T-Cell0
1
1996199628.0low001000
Leukemia, Acute Monocytic0
1
1998199826.0low001000
Leukemia, Basophilic, Acute0
1
1991199133.0low001000
Leukemia, Large Granular Lymphocytic0
1
202020204.0low000010
Leukemia, Lymphoblastic, Acute, T Cell0
3
2013201410.3low000030
Leukemia, Lymphocytic0
1
1995199529.0low001000
Leukemia, Lymphocytic, Chronic, B-Cell0
9
1999201612.9low001260
Leukemia, Lymphocytic, T Cell0
6
1996200721.7low002400
Leukemia, Lymphoid0
1
1995199529.0low001000
Leukemia, Monocytic, Acute0
1
1998199826.0low001000
Leukemia, Myelogenous, Chronic, BCR-ABL Positive0
9
1998201316.2low001440
Leukemia, Myeloid0
15
1990201525.2low0011130
Leukemia, Myeloid, Acute0
14
1986202211.6low0101111
Leukemia, Pre-B-Cell0
1
2012201212.0low000010
Leukemia, Promyelocytic, Acute0
17
1989200730.5low0313100
Leukemia, T-Cell0
6
1996200721.7low002400
Leukocyte Disorders0
1
2014201410.0low000010
Leukocytopenia0
3
1997200819.7low101200
Leukocytosis0
2
201220198.5low000020
Leukodystrophy, Globoid Cell0
21
1969201535.5low0134310
Leukodystrophy, Metachromatic0
6
1969198944.0low060000
Leukoencephalopathy, Progressive Multifocal0
9
2009201411.6low000180
Leukopenia0
3
1997200819.7low101200
Libman-Sacks Disease0
10
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Lipid Metabolism, Inborn Error0
13
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Lipidoses0
11
1969197651.3low0110000
Lipodystrophy0
1
201720177.0low000010
Liver Cirrhosis0
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Liver Cirrhosis, Alcoholic0
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2013201311.0low000010
Liver Diseases0
18
1996202112.1low0016101
Liver Diseases, Alcoholic0
2
2006201911.5low100110
Liver Dysfunction0
18
1996202112.1low0016101
Liver Failure0
2
201720177.0low000020
Liver Failure, Acute0
3
201520168.3low000030
Liver Neoplasms0
48
1975202213.6low02414235
Liver Steatosis0
14
1994202210.7low0012101
Local Neoplasm Recurrence0
7
1982202014.7low110240
Low Bone Density0
1
201920195.0low000010
Lung Adenocarcinoma0
5
201220226.6low000032
Lung Diseases0
6
2003201613.3low000240
Lung Injury, Acute0
22
200820229.5low0003163
Lung Injury, Ventilator-Induced0
3
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Lung Neoplasms0
47
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Lupus Erythematosus, Systemic0
10
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Lupus Nephritis0
2
2007201015.5low000200
Lupus Vulgaris0
1
2005200519.0low000100
Lymph Node Metastasis0
10
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Lymphatic Diseases0
3
2005201016.0low000300
Lymphocytopenia0
62
1998202014.0low70227330
Lymphocytosis0
1
201720177.0low000010
Lymphohistiocytosis, Hemophagocytic0
1
2013201311.0low000010
Lymphoma0
6
1990200425.2low003300
Lymphoma, B-Cell0
4
1996201718.8low002020
Lymphoma, Large B-Cell, Diffuse0
4
201220198.8low000040
Lymphoma, Mantle-Cell0
6
2010202010.2low000150
Lymphoma, Non-Hodgkin0
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201520159.0low000010
Lymphoma, Primary Effusion0
2
201420159.5low000020
Lymphoma, T-Cell0
3
1998200721.3low001200
Lymphopenia0
62
1998202014.0low70227330
Lymphoproliferative Disorders0
1
2007200717.0low000100
Lysosomal Enzyme Disorders0
7
1994202018.9low003130
Lysosomal Enzyme Disorders, Nervous System0
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Macular Degeneration0
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Macular Edema0
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Malaria0
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Malaria, Falciparum0
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Malaria, Vivax0
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Malignant Melanoma0
29
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Marchiafava-Micheli Syndrome0
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Mastocytosis, Systemic0
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Medulloblastoma0
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Melanoma0
29
1996202215.4low0069131
Memory Disorders0
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Meningeal Carcinomatosis0
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Meningioma0
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Meningitis0
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Mental Disorders0
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201520235.0low000011
Mesothelioma0
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2012201212.0low000010
Metabolic Diseases0
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Metabolic Syndrome0
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2009201910.0low100280
Metabolism, Inborn Errors0
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Metastase0
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Microcephaly0
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2014201410.0low000010
Minimal Disease, Residual0
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Mitral Incompetence0
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2012201212.0low000010
Mitral Valve Insufficiency0
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MODS0
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1999201812.5low001030
Morbid Obesity0
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201920195.0low000010
Mouth Neoplasms0
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2006201711.6low000230
Movement Disorders0
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MPTP Neurotoxicity Syndrome0
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MS (Multiple Sclerosis)0
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Mucopolysaccharidoses0
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Mucopolysaccharidosis0
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Mucorales Infection0
1
2004200420.0low000100
Mucormycosis0
1
2004200420.0low000100
Multiple Myeloma0
11
2003201513.6low000470
Multiple Organ Failure0
4
1999201812.5low001030
Multiple Primary Neoplasms0
1
202020204.0low000010
Multiple Sclerosis0
283
2005202311.0low14005720323
Multiple Sclerosis, Chronic Progressive0
8
2010201710.2low100170
Multiple Sclerosis, Relapsing-Remitting0
152
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Muscle Contraction0
49
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Muscle Disorders0
2
2010201213.0low000110
Muscle Relaxation0
3
2003200519.7low000300
Muscle Weakness0
1
2013201311.0low000010
Muscular Atrophy0
7
2001202115.1low000511
Muscular Diseases0
2
2010201213.0low000110
Muscular Dystrophy, Animal0
1
2013201311.0low000010
Muscular Dystrophy, Duchenne0
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201220226.6low000041
Muscular Weakness0
1
2013201311.0low000010
Myasthenia Gravis0
1
201920195.0low000010
Mycoses0
1
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Myelopathy0
1
2013201311.0low000010
Myocardial Infarction0
46
199620239.8low20111268
Myocardial Ischemia0
23
1995202115.0low0039101
Myocarditis0
4
2000201715.5low001120
Nasopharyngeal Carcinoma0
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Nasopharyngeal Neoplasms0
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1997201717.0low001010
Nausea0
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Necrosis0
36
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Neisseria gonorrhoeae Infection0
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Neointima0
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Neoplasm Metastasis0
43
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Neoplasms0
167
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Neoplasms, Germ Cell and Embryonal0
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Neoplasms, Nervous System0
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Neoplasms, Neuroepithelial0
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201520159.0low000010
Neovascularization, Optic Disc0
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2004202311.2low000311
Nephritis0
2
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Nephritis, Interstitial0
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Nephrotic Syndrome0
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Nerve Degeneration0
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Nerve Pain0
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201420235.4low000043
Nervous System Diseases0
14
1972202015.0low011390
Nervous System Disorders0
14
1972202015.0low011390
Neural Tube Defects0
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2005201912.2low000350
Neuralgia0
7
201420235.4low000043
Neuroblastoma0
39
1990201623.1low0023970
Neurodegenerative Diseases0
16
199920227.2low001276
Neuroectodermal Tumors, Primitive0
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2004200420.0low000100
Neurogenic Inflammation0
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Neuromuscular Diseases0
1
201920195.0low000010
Neuromyelitis Optica0
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2012201311.2low000060
Neuronal Ceroid-Lipofuscinoses0
2
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Neuroretinitis0
3
2000201217.3low001110
Neurovisceral Storage Disease with Vertical Supranuclear Ophthalmoplegia0
17
200820219.6low0004121
Neutropenia0
1
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Niemann-Pick Disease0
17
1969202029.8low057320
Niemann-Pick Disease, Adult Non-Neuronopathic0
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Niemann-Pick Disease, Type A0
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Niemann-Pick Disease, Type B0
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Niemann-Pick Disease, Type C0
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Niemann-Pick Diseases0
17
1969202029.8low057320
Non-alcoholic Fatty Liver Disease0
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Obesity0
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Obesity, Morbid0
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201920195.0low000010
Ocular Hypertension0
1
2014201410.0low000010
Oligodendroglioma0
1
2005200519.0low000100
Opportunistic Infections0
2
2009201213.5low000110
Optic Atrophy0
1
2014201410.0low000010
Optic Nerve Diseases0
1
2013201311.0low000010
Optic Neuritis0
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Oral Submucous Fibrosis0
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Orphan Diseases0
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Orthomyxoviridae Infections0
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Osseous Paget's Disease0
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Osteitis Deformans0
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Osteoarthritis0
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Osteoarthritis of Knee0
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Osteoarthritis, Knee0
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Osteogenic Sarcoma0
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1999201917.0low003020
Osteolysis0
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2000202014.0low001010
Osteomyelitis0
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Osteoporosis0
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Osteoporosis, Postmenopausal0
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2009201612.0low000130
Osteoporotic Fractures0
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201620205.3low000030
Osteosarcoma0
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1999201917.0low003020
Ovarian Cysts0
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Ovarian Diseases0
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Ovarian Hyperstimulation Syndrome0
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Ovarian Hyperstimulation Syndrome, Familial Gestational Spontaneous0
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Ovarian Neoplasms0
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Overweight0
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Ovine Diseases0
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201820186.0low000010
Pachymeningitis0
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Pain0
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Pain, Chronic0
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Palmoplantaris Pustulosis0
12
199320237.8low001155
Palsy0
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2009201313.0low000110
Pancreatic Neoplasms0
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1996202212.4low002574
Pancreatitis0
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Pancreatitis, Chronic0
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2005200519.0low000100
Papilloma0
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1992199829.0low002000
Papilloma, Squamous Cell0
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Paralysis0
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2009201313.0low000110
Parasitemia0
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Parkinson Disease0
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Parkinson Disease, Secondary0
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Pelvic Organ Prolapse0
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Pericementitis0
2
201120199.0low000020
Periodontitis0
2
201120199.0low000020
Peripheral Arterial Disease0
3
201420217.0low000021
Peripheral Arterial Diseases0
3
201420217.0low000021
Peripheral Nerve Diseases0
4
201520206.2low000040
Peripheral Nervous System Diseases0
4
201520206.2low000040
Peripheral Vascular Diseases0
1
2009200915.0low000100
Peritoneal Carcinomatosis0
1
2004200420.0low000100
Peritoneal Neoplasms0
1
2004200420.0low000100
Peritonitis0
4
201120208.5low000040
Ph 1 Chromosome0
1
2012201212.0low000010
Phenylketonurias0
1
1972197252.0low010000
Pheochromocytoma0
4
1988200132.0low021100
Pheochromocytoma, Extra-Adrenal0
4
1988200132.0low021100
Pigmentary Retinopathy0
1
2013201311.0low000010
Plague0
3
201420188.7low000030
Plasmodium falciparum Malaria0
2
2003201714.0low000110
Plasmodium vivax Malaria0
1
201720177.0low000010
Plica Syndrome0
1
2010201014.0low000100
Pneumonia0
29
200420238.7low1007148
Pneumonia, Bacterial0
5
201420197.4low000050
Pneumonia, Staphylococcal0
1
201620168.0low000010
Pneumonia, Ventilator-Associated0
1
201920195.0low000010
Pneumonia, Viral0
4
202020204.0low000040
Poliomyelitis0
1
2011201113.0low000010
Polyarthritis0
5
2009202110.2low000311
Polycystic Kidney Diseases0
1
2012201212.0low000010
Polyneuropathies0
3
2009201412.3low000120
Polyneuropathy, Acquired0
3
2009201412.3low000120
Polyuria0
1
2004200420.0low000100
Posterior Vitreous Detachment0
1
202220222.0low000001
Postoperative Complications0
8
1999201317.4low201520
Postpartum Amenorrhea0
1
2014201410.0low000010
Poultry Diseases0
3
2004201216.3low100210
Pre-Eclampsia0
6
201420233.7low000024
Precancerous Conditions0
1
2006200618.0low000100
Precordial Catch0
1
2012201212.0low000010
Precursor B-Cell Lymphoblastic Leukemia-Lymphoma0
1
2012201212.0low000010
Precursor Cell Lymphoblastic Leukemia-Lymphoma0
5
1992202218.4low002111
Precursor T-Cell Lymphoblastic Leukemia-Lymphoma0
3
2013201410.3low000030
Prediabetes0
1
202220222.0low000001
Prediabetic State0
1
202220222.0low000001
Pregnancy0
104
1972202317.2low01115264012
Pregnancy, Ectopic0
1
2013201311.0low000010
Preleukemia0
1
1998199826.0low001000
Premature Birth0
3
200720228.3low000111
Preterm Birth0
3
200720228.3low000111
Primary Ovarian Insufficiency0
2
201220179.5low000020
Primary Peritonitis0
4
201120208.5low000040
Prostatic Intraepithelial Neoplasia0
2
2007200916.0low000200
Prostatic Neoplasms0
42
1979201516.5low01616190
Prostatic Neoplasms, Castration-Resistant0
1
202120213.0low000001
Prostatitis0
1
2011201113.0low000010
Protein Aggregation, Pathological0
1
2014201410.0low000010
Proteinuria0
10
2002201216.1low000730
Pruritus0
7
2008202011.1low000340
Pseudomonas Infections0
8
201420207.2low000080
Psoriasis0
12
199320237.8low001155
Psoriasis Arthropathica0
2
201220179.5low000020
Pterygium0
1
201920195.0low000010
Pulmonary Arterial Hypertension0
2
202020223.0low000011
Pulmonary Arterial Remodeling0
8
201320218.2low000071
Pulmonary Consumption0
5
2004201614.6low000320
Pulmonary Disease, Chronic Obstructive0
8
201520225.4low000062
Pulmonary Edema0
19
1999202114.7low0021061
Pulmonary Embolism0
1
202120213.0low000001
Pulmonary Fibrosis0
5
2010201411.8low000140
Pulmonary Hypertension0
9
200920218.2low000171
Purpura, Thrombocytopenic, Idiopathic0
2
201320198.0low000020
Pyrexia0
1
2000200024.0low001000
Recrudescence0
31
2003201512.0low4004270
Rectal Neoplasms0
2
1982202321.5low010001
Remission, Spontaneous0
2
1995201519.0low001010
Renal Insufficiency0
1
2013201311.0low000010
Renal Insufficiency, Chronic0
8
201320235.1low000062
Reperfusion Injury0
84
1994202213.4low00636384
Reproductive Sterility0
1
201820186.0low000010
Respiration Disorders0
1
2011201113.0low000010
Respiratory Distress Syndrome0
10
2001202213.8low000631
Respiratory Distress Syndrome, Newborn0
1
2014201410.0low000010
Respiratory Syncytial Virus Infections0
1
2004200420.0low000100
Respiratory Tract Infections0
2
2006201414.0low100110
Retinal Degeneration0
6
1955201930.5low020220
Retinal Detachment0
2
1955200942.0low010100
Retinal Diseases0
2
200820219.5low000101
Retinal Neovascularization0
5
2004202311.2low000311
Retinal Pigment Epithelial Detachment0
2
1955200942.0low010100
Retinal Telangiectasis0
1
201920195.0low000010
Retinal Vein Occlusion0
1
2011201113.0low000010
Retinitis0
3
2000201217.3low001110
Retinitis Pigmentosa0
1
2013201311.0low000010
Retinoblastoma0
5
1990201924.0low004010
Retinopathy of Prematurity0
2
201820214.5low000011
Retrolental Fibroplasia0
2
201820214.5low000011
Rett Syndrome0
1
2012201212.0low000010
Rhabdomyosarcoma0
2
2003201316.0low000110
Rhabdomyosarcoma 20
3
200720209.0low000120
Rhabdomyosarcoma, Alveolar0
3
200720209.0low000120
Rhabdomyosarcoma, Embryonal0
1
2007200717.0low000100
Rheumatic Heart Disease0
1
202120213.0low000001
Rheumatoid Arthritis0
32
1998202212.8low00314114
Rhinitis, Allergic0
1
2013201311.0low000010
Rhinitis, Allergic, Nonseasonal0
2
2010201312.5low000110
Rhinitis, Allergic, Perennial0
2
2010201312.5low000110
Right Ventricular Dysfunction0
1
2002200222.0low000100
Root Resorption0
1
202220222.0low000001
Rosacea0
1
201620168.0low000010
Salmonella Infections, Animal0
1
2013201311.0low000010
Sandhoff Disease0
2
1992200824.0low001100
Sarcoma0
2
1998200224.0low001100
Sarcoma 1800
1
2012201212.0low000010
Sarcoma, Alveolar Soft Part0
1
2014201410.0low000010
Sarcoma, Epithelioid0
2
1998200224.0low001100
Sarcoma, Ewing0
1
2004200420.0low000100
Sarcoma, Kaposi0
2
201520187.5low000020
Sarcoma, Synovial0
1
202220222.0low000001
Sarcopenia0
2
201920223.5low000011
Schistosoma mansoni Infection0
1
201820186.0low000010
Schistosomiasis mansoni0
1
201820186.0low000010
Schizophrenia0
1
202120213.0low100001
Scleroderma, Localized0
1
2013201311.0low000010
Scleroderma, Systemic0
4
2009202211.2low000301
Sclerosis0
1
2013201311.0low000010
Sclerosis, Systemic0
4
2009202211.2low000301
Secondary Hyperparathyroidism0
1
2012201212.0low000010
Seizures0
3
1974200531.3low011100
Sensation Disorders0
1
2007200717.0low000100
Sensitivity and Specificity0
38
1993202017.5low0042680
Sepsis0
37
199920238.0low2023248
Severe Dengue0
2
201420159.5low000020
Shingles0
6
2011201511.0low100060
Shock0
2
202020223.0low000011
Shock, Cardiogenic0
1
2004200420.0low000100
Shock, Septic0
4
201520234.8low100022
Shock, Traumatic0
1
2004200420.0low000100
Sicca Syndrome0
5
2008202210.6low000221
Silicosis0
1
202020204.0low000010
Sinus Tachycardia0
1
2000200024.0low001000
Sjogren-Larsson Syndrome0
4
1993201416.0low001030
Sjogren's Syndrome0
5
2008202210.6low000221
Skin Aging0
2
2008201114.5low000110
Skin Diseases0
9
1992202313.1low001422
Skin Neoplasms0
11
1992201717.4low004160
Skin Ulcer0
1
2010201014.0low000100
Sleep Apnea, Obstructive0
1
202220222.0low000001
Sleepiness0
1
202220222.0low000001
Small Cell Lung Carcinoma0
1
2009200915.0low000100
Spermatic Cord Torsion0
1
201520159.0low000010
Sphingolipid Storage Diseases0
10
1972201232.9low045010
Spinal Cord Diseases0
1
2013201311.0low000010
Spinal Cord Injuries0
8
2007202210.6low000341
Spinal Fractures0
1
2012201212.0low000010
ST Elevated Myocardial Infarction0
1
202220222.0low100001
ST Elevation Myocardial Infarction0
1
202220222.0low100001
Staphylococcal Infections0
4
201320226.0low000031
Staphylococcal Pneumonia0
1
201620168.0low000010
Staphylococcal Skin Infections0
3
2006201413.0low000120
Status Epilepticus0
3
2003201217.3low000210
Sterility, Female0
4
2001201117.0low000310
Sterility, Male0
1
2011201113.0low100010
Stillbirth0
1
2012201212.0low000010
Stomach Neoplasms0
19
1993202215.6low003781
Stomach Ulcer0
1
2005200519.0low000100
Stroke0
20
200320228.6low1003134
Stunted Growth0
1
1989198935.0low010000
Subarachnoid Hemorrhage0
9
2008202011.1low100270
Substance Withdrawal Syndrome0
1
2013201311.0low000010
Sunburn0
1
2012201212.0low000010
Swine Diseases0
3
1999201218.0low001110
Symptom Cluster0
4
1975202217.5low010111
Syndrome0
4
1975202217.5low010111
Synovioma0
1
202220222.0low000001
Synovitis0
1
2010201014.0low000100
Systolic Heart Failure0
3
201220207.7low000030
T-Cell Lymphoma0
3
1998200721.3low001200
T-Lymphocytopenia, Idiopathic CD4-Positive0
1
2005200519.0low000100
Tachyarrhythmia0
1
2008200816.0low100100
Tachycardia0
1
2008200816.0low100100
Tachycardia, Ventricular0
2
201520159.0low000020
Tauopathies0
1
202020204.0low000010
Tay-Sachs Disease0
2
1984199236.0low011000
Teratocarcinoma0
2
2005200817.5low000200
Testicular Neoplasms0
1
201620168.0low000010
Tetanus0
1
1972197252.0low010000
Thrombocythemia0
1
202220222.0low000001
Thrombocythemia, Essential0
1
2013201311.0low000010
Thrombocytopenia0
5
1997201915.2low101220
Thromboembolism0
2
201320207.5low000020
Thrombopenia0
5
1997201915.2low101220
Thrombosis0
11
1957201815.7low011180
Thymoma0
1
1998199826.0low001000
Thymus Neoplasms0
2
1979199835.5low011000
Thyroid Cancer, Anaplastic0
2
201220189.0low000020
Thyroid Carcinoma, Anaplastic0
2
201220189.0low000020
Thyroid Neoplasms0
12
1979201616.2low011460
Tongue Neoplasms0
1
201720177.0low000010
Tooth Erosion0
2
201520168.5low000020
Toxoplasmosis0
1
2014201410.0low000010
Trichomonas Infections0
1
1952195272.0low010000
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9
201520225.8low000081
Trypanosomiasis, African0
1
2009200915.0low000100
Tuberculosis0
4
201020238.5low000211
Tuberculosis, Drug-Resistant0
2
200920238.0low000101
Tuberculosis, Multidrug-Resistant0
2
200920238.0low000101
Tuberculosis, Pulmonary0
5
2004201614.6low000320
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1
202020204.0low000010
Ulcer0
1
2005200519.0low000100
Uremia0
2
2004201713.5low000110
Ureteral Obstruction0
2
201420188.0low000020
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8
2000202211.8low001151
Urinary Bladder, Neurogenic0
1
2009200915.0low000100
Urinary Bladder, Overactive0
1
2009200915.0low000100
Urinary Tract Infections0
1
2002200222.0low000100
Urogenital Prolapse0
1
201520159.0low000010
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2
1979202124.0low010001
Uterine Neoplasms0
2
2000201118.5low001010
Uveitis0
6
2000201314.5low101140
Uveitis, Posterior0
1
2010201014.0low000100
Vascular Calcification0
1
201820186.0low000010
Vascular Diseases0
13
2006202210.7low000652
Vascular Injuries0
3
2012201510.7low000030
Vasculitis0
5
2005202010.0low000140
Vasospasm, Intracranial0
8
2001201514.2low100350
Venous Thrombosis0
2
202120213.0low000002
Ventilator-Associated Pneumonia0
1
201920195.0low000010
Ventricular Dysfunction0
1
201920195.0low000010
Ventricular Dysfunction, Left0
1
201820186.0low000010
Ventricular Fibrillation0
1
202220222.0low100001
Viral Diseases0
8
200820236.4low000134
Virus Diseases0
8
200820236.4low000134
Vitamin A Deficiency0
1
1976197648.0low010000
Vitamin B Deficiency0
1
1973197351.0low010000
von Willebrand Diseases0
1
2013201311.0low000010
Wallerian Degeneration0
1
2009200915.0low000100
Weight Gain0
8
1996201320.8low004310
Weight Loss0
5
2004201415.4low000320
Weight Reduction0
5
2004201415.4low000320
Wet Macular Degeneration0
1
2011201113.0low000010
Whooping Cough0
2
201520178.0low000020
Wilms Tumor0
2
2008200915.5low000200
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1
2014201410.0low000010
Wolfram Syndrome0
1
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Wounds and Injuries0
4
1996201915.2low001120
Wounds, Penetrating0
1
1998199826.0low001000
Xeroderma0
2
1993202316.0low001001
Zellweger Syndrome0
1
1994199430.0low001000
Zika Virus Infection0
2
201720205.5low000020

Safety/Toxicity (104)

ArticleYear
Targeted sphingolipid analysis in chickens suggests different mechanisms of fumonisin toxicity in kidney, lung, and brain.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, , Volume: 170		2022
Synchronous Investigation of the Mechanism and Substance Basis of Tripterygium Glycosides Tablets on Anti-rheumatoid Arthritis and Hepatotoxicity.
Applied biochemistry and biotechnology, , Volume: 194, Issue:11		2022
Involvement of the mitochondrial retrograde pathway in dihydrosphingosine-induced cytotoxicity in budding yeast.
Biochemical and biophysical research communications, , 05-21, Volume: 605		2022
Inhaled sphingosine has no adverse side effects in isolated ventilated and perfused pig lungs.
Scientific reports, , 09-20, Volume: 11, Issue:1		2021
A chemical screen for modulators of mRNA translation identifies a distinct mechanism of toxicity for sphingosine kinase inhibitors.
PLoS biology, , Volume: 19, Issue:5		2021
Toxicity Screens in Human Retinal Organoids for Pharmaceutical Discovery.
Journal of visualized experiments : JoVE, , 03-04, Issue:169		2021
Role of 1-Deoxysphingolipids in docetaxel neurotoxicity.
Journal of neurochemistry, , Volume: 154, Issue:6		2020
Mitochondrial reactive oxygen species-mediated cytotoxicity of intracellularly accumulated dihydrosphingosine in the yeast Saccharomyces cerevisiae.
The FEBS journal, , Volume: 287, Issue:16		2020
Clinical Development of Sphingosine as Anti-Bacterial Drug: Inhalation of Sphingosine in Mini Pigs has no Adverse Side Effects.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, , Volume: 53, Issue:6		2019
Impact of Sphingolipid Mediators on the Determination of Cochlear Survival in Ototoxicity.
Current molecular pharmacology, , Volume: 11, Issue:4		2018
Olipudase alfa for treatment of acid sphingomyelinase deficiency (ASMD): safety and efficacy in adults treated for 30 months.
Journal of inherited metabolic disease, , Volume: 41, Issue:5		2018
Sphingosine-1-Phosphate Receptor-1 Agonist Sew2871 Causes Severe Cardiac Side Effects and Does Not Improve Microvascular Barrier Breakdown in Sepsis.
Shock (Augusta, Ga.), , Volume: 49, Issue:1		2018
Sphingosine Toxicity in EAE and MS: Evidence for Ceramide Generation via Serine-Palmitoyltransferase Activation.
Neurochemical research, , Volume: 42, Issue:10		2017
Increased Expression of GM1 Detected by Electrospray Mass Spectrometry in Rat Primary Embryonic Cortical Neurons Exposed to Glutamate Toxicity.
Analytical chemistry, , 08-02, Volume: 88, Issue:15		2016
Clinical pharmacology, efficacy, and safety aspects of sphingosine-1-phosphate receptor modulators.
Expert opinion on drug metabolism & toxicology, , Volume: 12, Issue:8		2016
Non-immunosuppressive FTY720-derivative OSU-2S mediates reactive oxygen species-mediated cytotoxicity in canine B-cell lymphoma.
Veterinary and comparative oncology, , Volume: 15, Issue:3		2017
1-Deoxysphingolipid-induced neurotoxicity involves N-methyl-d-aspartate receptor signaling.
Neuropharmacology, , Volume: 110, Issue:Pt A		2016
Safety and efficacy of reduced fingolimod dosage treatment.
Journal of neuroimmunology, , Aug-15, Volume: 285		2015
Differential cytotoxicity of long-chain bases for human oral gingival epithelial keratinocytes, oral fibroblasts, and dendritic cells.
Toxicology letters, , Aug-19, Volume: 237, Issue:1		2015
ROR1-targeted delivery of OSU-2S, a nonimmunosuppressive FTY720 derivative, exerts potent cytotoxicity in mantle-cell lymphoma in vitro and in vivo.
Experimental hematology, , Volume: 43, Issue:9		2015
Efficacy of AdiDetox™ in reducing the toxicity of fumonisin B1 in rats.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, , Volume: 78		2015
Cerebellum neurotransmission during postnatal development: [Pt(O,O'-acac)(γ-acac)(DMS)] vs cisplatin and neurotoxicity.
International journal of developmental neuroscience : the official journal of the International Society for Developmental Neuroscience, , Volume: 40		2015
Relating toxicity to transfection: using sphingosine to maintain prolonged expression in vitro.
Molecular pharmaceutics, , Jan-05, Volume: 12, Issue:1		2015
Glucolipotoxicity impairs ceramide flow from the endoplasmic reticulum to the Golgi apparatus in INS-1 β-cells.
PloS one, , Volume: 9, Issue:10		2014
ASP4058, a novel agonist for sphingosine 1-phosphate receptors 1 and 5, ameliorates rodent experimental autoimmune encephalomyelitis with a favorable safety profile.
PloS one, , Volume: 9, Issue:10		2014
Targeted anti-apoptosis activity for ovarian protection against chemotherapy-induced ovarian gonadotoxicity.
Reproductive biomedicine online, , Volume: 29, Issue:5		2014
Involvement of oxidative stress in subacute toxicity induced by fumonisin B1 in broiler chicks.
Veterinary microbiology, , Nov-07, Volume: 174, Issue:1-2		2014
Tumor antigen ROR1 targeted drug delivery mediated selective leukemic but not normal B-cell cytotoxicity in chronic lymphocytic leukemia.
Leukemia, , Volume: 29, Issue:2		2015
Overview and safety of fingolimod hydrochloride use in patients with multiple sclerosis.
Expert opinion on drug safety, , Volume: 13, Issue:7		2014
Safety of the first dose of fingolimod for multiple sclerosis: results of an open-label clinical trial.
BMC neurology, , Apr-01, Volume: 14		2014
Safety and efficacy of fingolimod in patients with relapsing-remitting multiple sclerosis (FREEDOMS II): a double-blind, randomised, placebo-controlled, phase 3 trial.
The Lancet. Neurology, , Volume: 13, Issue:6		2014
Assessment of cardiac safety during fingolimod treatment initiation in a real-world relapsing multiple sclerosis population: a phase 3b, open-label study.
Journal of neurology, , Volume: 261, Issue:2		2014
Efficacy and safety of BG-12 (dimethyl fumarate) and other disease-modifying therapies for the treatment of relapsing-remitting multiple sclerosis: a systematic review and mixed treatment comparison.
Current medical research and opinion, , Volume: 30, Issue:4		2014
C22:0- and C24:0-dihydroceramides confer mixed cytotoxicity in T-cell acute lymphoblastic leukemia cell lines.
PloS one, , Volume: 8, Issue:9		2013
Evaluation of efficacy, safety and tolerability of fingolimod in patients with the relapsing form of multiple sclerosis - 12-month observation. A preliminary report.
Neurologia i neurochirurgia polska, , Volume: 47, Issue:2
Fingolimod phosphate attenuates oligomeric amyloid β-induced neurotoxicity via increased brain-derived neurotrophic factor expression in neurons.
PloS one, , Volume: 8, Issue:4		2013
Protective effect of FTY720 against sevoflurane-induced developmental neurotoxicity in rats.
Cell biochemistry and biophysics, , Volume: 67, Issue:2		2013
Early tolerability and safety of fingolimod in clinical practice.
Journal of the neurological sciences, , Dec-15, Volume: 323, Issue:1-2		2012
4-aminopyridine toxicity: a case report and review of the literature.
Journal of medical toxicology : official journal of the American College of Medical Toxicology, , Volume: 8, Issue:3		2012
Comparative effects of fumonisins on sphingolipid metabolism and toxicity in ducks and turkeys.
Avian diseases, , Volume: 56, Issue:1		2012
Interplay between SAFE and RISK pathways in sphingosine-1-phosphate-induced cardioprotection.
Cardiovascular drugs and therapy, , Volume: 26, Issue:3		2012
Mechanisms of fingolimod's efficacy and adverse effects in multiple sclerosis.
Annals of neurology, , Volume: 69, Issue:5		2011
Aquilegia vulgaris L. extract counteracts oxidative stress and cytotoxicity of fumonisin in rats.
Toxicon : official journal of the International Society on Toxinology, , Aug-01, Volume: 56, Issue:1		2010
Cytotoxic effects of novel phytosphingosine derivatives, including N,N-dimethylphytosphingosine and N-monomethylphytosphingosine, in human leukemia cell line HL60.
Leukemia & lymphoma, , Volume: 51, Issue:1		2010
Functional modulation of mitochondria by eicosapentaenoic acid provides protection against ceramide toxicity to C6 glioma cells.
Journal of agricultural and food chemistry, , Dec-23, Volume: 57, Issue:24		2009
Natural lysophospholipids reduce Mycobacterium tuberculosis-induced cytotoxicity and induce anti-mycobacterial activity by a phagolysosome maturation-dependent mechanism in A549 type II alveolar epithelial cells.
Immunology, , Volume: 129, Issue:1		2010
Effects of synthetic sphingosine-1-phosphate analogs on cytosolic phospholipase A2alpha-independent release of arachidonic acid and cell toxicity in L929 fibrosarcoma cells: the structure-activity relationship.
Journal of pharmacological sciences, , Volume: 109, Issue:3		2009
Subcellular origin of sphingosine 1-phosphate is essential for its toxic effect in lyase-deficient neurons.
The Journal of biological chemistry, , Apr-24, Volume: 284, Issue:17		2009
Elevation of sphingoid base 1-phosphate as a potential contributor to hepatotoxicity in fumonisin B1-exposed mice.
Archives of pharmacal research, , Volume: 30, Issue:8		2007
Chronic toxicity of fumonisins in turkeys.
Poultry science, , Volume: 86, Issue:9		2007
A fluorescence microplate cytotoxicity assay with a 4-log dynamic range that identifies synergistic drug combinations.
Molecular cancer therapeutics, , Volume: 6, Issue:3		2007
Inducible nitric oxide has protective effect on fumonisin B1 hepatotoxicity in mice via modulation of sphingosine kinase.
Toxicology, , Jan-05, Volume: 229, Issue:1-2		2007
S-adenosylmethionine or 5'-methylthioadenosine are unable to prevent fumonisin B1 hepatotoxicity in mice despite increased oxidation in liver.
Journal of applied toxicology : JAT, , Volume: 26, Issue:6
Elevation of sphinganine 1-phosphate as a predictive biomarker for fumonisin exposure and toxicity in mice.
Journal of toxicology and environmental health. Part A, , Volume: 69, Issue:23		2006
Mice lacking both TNFalpha receptors show increased constitutive expression of IFNgamma: a possible reason for lack of protection from fumonisin B1 hepatotoxicity.
Cytokine, , Volume: 34, Issue:5-6		2006
Cytotoxic effect induced by retinoic acid loaded into galactosyl-sphingosine containing liposomes on human hepatoma cell lines.
International journal of pharmaceutics, , Nov-15, Volume: 325, Issue:1-2		2006
Mechanism of action of sphingolipids and their metabolites in the toxicity of fumonisin B1.
Progress in lipid research, , Volume: 44, Issue:6		2005
Toxic effects of fumonisin in mouse liver are independent of the peroxisome proliferator-activated receptor alpha.
Toxicological sciences : an official journal of the Society of Toxicology, , Volume: 89, Issue:1		2006
Cytotoxicity of sphingoid marine compound analogs in mono- and multilayered solid tumor cell cultures.
Investigational new drugs, , Volume: 24, Issue:3		2006
Lupus-prone NZBWF1/J mice, defective in cytokine signaling, are resistant to fumonisin hepatotoxicity despite accumulation of liver sphinganine.
Toxicology, , Volume: 216, Issue:1		2005
Inhibition of tumor necrosis factor alpha signaling by anti-tumor necrosis factor alpha antibodies and pentoxifylline is unable to prevent fumonisin hepatotoxicity in mice.
Toxicon : official journal of the International Society on Toxinology, , Sep-15, Volume: 46, Issue:4		2005
FTY720, a novel immunomodulator: efficacy and safety results from the first phase 2A study in de novo renal transplantation.
Transplantation, , Jun-15, Volume: 79, Issue:11		2005
Myriocin prevents fumonisin B1-induced sphingoid base accumulation in mice liver without ameliorating hepatotoxicity.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, , Volume: 43, Issue:6		2005
Prolonged administration of FTY720 does not cause renal toxicity in mice.
Transplantation proceedings, , Volume: 37, Issue:1
Mitochondrial dysfunction is a primary event in renal cell oxalate toxicity.
Kidney international, , Volume: 66, Issue:5		2004
Toxicity of maize containing known levels of fumonisin B1 during force-feeding of ducks.
Poultry science, , Volume: 83, Issue:8		2004
Fenretinide cytotoxicity for Ewing's sarcoma and primitive neuroectodermal tumor cell lines is decreased by hypoxia and synergistically enhanced by ceramide modulators.
Cancer research, , Aug-01, Volume: 64, Issue:15		2004
FTY720, a novel immunomodulator: efficacy and safety results from the first phase 2A study in de novo renal transplantation.
Transplantation, , Jun-27, Volume: 77, Issue:12		2004
Ceramide metabolite, not intact ceramide molecule, may be responsible for cellular toxicity.
The Biochemical journal, , Jun-15, Volume: 380, Issue:Pt 3		2004
Sphingosine may have cytotoxic effects via apoptosis on the growth of keloid fibroblasts.
The Journal of dermatology, , Volume: 31, Issue:1		2004
Intrinsic cytotoxicity and chemomodulatory actions of novel phenethylisothiocyanate sphingoid base derivatives in HL-60 human promyelocytic leukemia cells.
The Journal of pharmacology and experimental therapeutics, , Volume: 309, Issue:2		2004
Current immunosuppressive agents: efficacy, side effects, and utilization.
Pediatric clinics of North America, , Volume: 50, Issue:6		2003
Cycloserine and threo-dihydrosphingosine inhibit TNF-alpha-induced cytotoxicity: evidence for the importance of de novo ceramide synthesis in TNF-alpha signaling.
Biochimica et biophysica acta, , Dec-07, Volume: 1643, Issue:1-3		2003
Pharmacodynamics, pharmacokinetics, and safety of multiple doses of FTY720 in stable renal transplant patients: a multicenter, randomized, placebo-controlled, phase I study.
Transplantation, , Oct-15, Volume: 76, Issue:7		2003
Prevalence of necrosis in C2-ceramide-induced cytotoxicity in NB16 neuroblastoma cells.
Molecular pharmacology, , Volume: 64, Issue:2		2003
Mechanisms involved in exogenous C2- and C6-ceramide-induced cancer cell toxicity.
Biochemical pharmacology, , May-15, Volume: 65, Issue:10		2003
Deletion of IFN-gamma reduces fumonisin-induced hepatotoxicity in mice via alterations in inflammatory cytokines and apoptotic factors.
Journal of interferon & cytokine research : the official journal of the International Society for Interferon and Cytokine Research, , Volume: 23, Issue:1		2003
Role of proliferation in the toxicity of fumonisin B1: enhanced hepatotoxic response in the partially hepatectomized rat.
Journal of toxicology and environmental health. Part A, , Aug-11, Volume: 60, Issue:7		2000
Pharmacological antagonism of fumonisin B1 cytotoxicity in porcine renal epithelial cells (LLC-PK1): a model for reducing fumonisin-induced nephrotoxicity in vivo.
Pharmacology & toxicology, , Volume: 90, Issue:5		2002
Calyculin A sensitive protein phosphatase is required for Bacillus anthracis lethal toxin induced cytotoxicity.
Current microbiology, , Volume: 44, Issue:2		2002
Effective cytotoxicity against human leukemias and chemotherapy-resistant leukemia cell lines by N-N-dimethylsphingosine.
Leukemia research, , Volume: 26, Issue:3		2002
Gender-related differences in subacute fumonisin B1 hepatotoxicity in BALB/c mice.
Toxicology, , Aug-28, Volume: 165, Issue:2-3		2001
Nuclear translocation of extracellular signal-regulated kinases in neuronal excitotoxicity.
Neuroreport, , Aug-08, Volume: 12, Issue:11		2001
Toxicity of Fusarium moniliforme culture material containing known levels of fumonisin B1 in ducks.
Toxicology, , May-28, Volume: 163, Issue:1		2001
Loss of cyclin A and G1-cell cycle arrest are a prerequisite of ceramide-induced toxicity in human arterial endothelial cells.
Cardiovascular research, , Volume: 50, Issue:1		2001
Synergistic cytotoxicity in solid tumor cell lines between N-(4-hydroxyphenyl)retinamide and modulators of ceramide metabolism.
Journal of the National Cancer Institute, , Dec-06, Volume: 92, Issue:23		2000
The toxicity of purified fumonisin B1 in broiler chicks.
Poultry science, , Volume: 79, Issue:10		2000
Synthesis, in vitro cytotoxicity and in vivo anti-inflammatory activity of long chain 3-amino-1,2-diols.
Bioorganic & medicinal chemistry letters, , Mar-22, Volume: 9, Issue:6		1999
Protective effects of the TNF-ceramide pathway against glutamate neurotoxicity on cultured mesencephalic neurons.
Brain research, , Feb-20, Volume: 819, Issue:1-2		1999
Development of fumonisin-induced hepatotoxicity and pulmonary edema in orally dosed swine: morphological and biochemical alterations.
Toxicologic pathology, , Volume: 26, Issue:6
Phytotoxicity and cytotoxicity of the fumonisin C and P series of mycotoxins from Fusarium spp. fungi.
Toxicon : official journal of the International Society on Toxinology, , Volume: 36, Issue:12		1998
Ultrastructural effects of AAL-toxin TA from the fungus Alternaria alternata on black nightshade (Solanum nigrum L.) leaf discs and correlation with biochemical measures of toxicity.
Toxicon : official journal of the International Society on Toxinology, , Volume: 36, Issue:12		1998
Characterization of cytotoxicity induced by sphingolipids in multidrug-resistant leukemia cells.
Leukemia research, , Volume: 22, Issue:11		1998
Early fumonisin B1 toxicity in relation to disrupted sphingolipid metabolism in male BALB/c mice.
Journal of biochemical and molecular toxicology, , Volume: 12, Issue:5		1998
Cytotoxic effects of sphingolipids as single or multi-modality agents on human melanoma and soft tissue sarcoma in vitro.
Melanoma research, , Volume: 8, Issue:3		1998
Effects of intravenous fumonisin B1 in rabbits: nephrotoxicity and sphingolipid alterations.
Natural toxins, , Volume: 3, Issue:5		1995
Protein kinases modulate the sensitivity of hippocampal neurons to nitric oxide toxicity and anoxia.
Journal of neuroscience research, , Sep-01, Volume: 36, Issue:1		1993
Liposomal N,N,N-trimethylsphingosine (TMS) as an inhibitor of B16 melanoma cell growth and metastasis with reduced toxicity and enhanced drug efficacy compared to free TMS: cell membrane signaling as a target in cancer therapy III.
Cancer research, , Apr-15, Volume: 54, Issue:8		1994
Dietary fumonisin B1 induces disruption of sphingolipid metabolism in Sprague-Dawley rats: a new mechanism of nephrotoxicity.
The Journal of nutrition, , Volume: 124, Issue:4		1994
Toxicity of the protein kinase C inhibitor safingol administered alone and in combination with chemotherapeutic agents.
Fundamental and applied toxicology : official journal of the Society of Toxicology, , Volume: 25, Issue:2		1995

Long-term Use (6)

ArticleYear
Oral disease-modifying therapies for relapsing-remitting multiple sclerosis.
American journal of health-system pharmacy : AJHP : official journal of the American Society of Health-System Pharmacists, , Jan-01, Volume: 72, Issue:1		2015
Overview and safety of fingolimod hydrochloride use in patients with multiple sclerosis.
Expert opinion on drug safety, , Volume: 13, Issue:7		2014
FTY720 (fingolimod) is a neuroprotective and disease-modifying agent in cellular and mouse models of Huntington disease.
Human molecular genetics, , May-01, Volume: 23, Issue:9		2014
Neurorestorative effect of FTY720 in a rat model of Alzheimer's disease: comparison with memantine.
Behavioural brain research, , Sep-01, Volume: 252		2013
Effects of long-term administration of low-dose FTY720 on survival of murine cardiac allograft.
Journal of Huazhong University of Science and Technology. Medical sciences = Hua zhong ke ji da xue xue bao. Yi xue Ying De wen ban = Huazhong keji daxue xuebao. Yixue Yingdewen ban, , Volume: 32, Issue:2		2012
Prevention and cure of autoimmune diabetes in nonobese diabetic mice by continuous administration of FTY720.
Transplantation, , May-15, Volume: 79, Issue:9		2005

Pharmacokinetics (49)

ArticleYear
A Preliminary Study of Pharmacokinetics and Pharmacodynamics of Oral Fingolimod in Dogs.
In vivo (Athens, Greece), , Volume: 37, Issue:5
Sphingosine-1-phosphate induces migration of microglial cells via activation of volume-sensitive anion channels, ATP secretion and activation of purinergic receptors.
Biochimica et biophysica acta. Molecular cell research, , Volume: 1868, Issue:2		2021
First-in-human study of the safety, tolerability, pharmacokinetics and pharmacodynamics of single and multiple oral doses of SAR247799, a selective G-protein-biased sphingosine-1 phosphate receptor-1 agonist for endothelial protection.
British journal of clinical pharmacology, , Volume: 87, Issue:2		2021
Mechanism of sphingosine 1-phosphate clearance from blood.
The Biochemical journal, , 03-13, Volume: 477, Issue:5		2020
Elevated Plasma Ceramides Are Associated With Higher White Matter Hyperintensity Volume-Brief Report.
Arteriosclerosis, thrombosis, and vascular biology, , Volume: 39, Issue:11		2019
UHPLC-MS/MS analysis of sphingosine 1-phosphate in joint cavity dialysate and hemodialysis solution of adjuvant arthritis rats: Application to geniposide pharmacodynamic study.
Biomedical chromatography : BMC, , Volume: 33, Issue:7		2019
Pharmacokinetics of Jaspine B and Enhancement of Intestinal Absorption of Jaspine B in the Presence of Bile Acid in Rats.
Marine drugs, , Sep-01, Volume: 15, Issue:9		2017
Erythropoeitin Signaling in Macrophages Promotes Dying Cell Clearance and Immune Tolerance.
Immunity, , Feb-16, Volume: 44, Issue:2		2016
Correlation between brain volume loss and clinical and MRI outcomes in multiple sclerosis.
Neurology, , Feb-24, Volume: 84, Issue:8		2015
LDL receptor and ApoE are involved in the clearance of ApoM-associated sphingosine 1-phosphate.
The Journal of biological chemistry, , Jan-23, Volume: 290, Issue:4		2015
Translational pharmacokinetic modeling of fingolimod (FTY720) as a paradigm compound subject to sphingosine kinase-mediated phosphorylation.
Drug metabolism and disposition: the biological fate of chemicals, , Volume: 42, Issue:9		2014
Activation of ATP secretion via volume-regulated anion channels by sphingosine-1-phosphate in RAW macrophages.
Pflugers Archiv : European journal of physiology, , Volume: 467, Issue:6		2015
Molecular pharmacodynamics of new oral drugs used in the treatment of multiple sclerosis.
Drug design, development and therapy, , Volume: 8		2014
The influence of patient demographics, disease characteristics and treatment on brain volume loss in Trial Assessing Injectable Interferon vs FTY720 Oral in Relapsing-Remitting Multiple Sclerosis (TRANSFORMS), a phase 3 study of fingolimod in multiple scl
Multiple sclerosis (Houndmills, Basingstoke, England), , Volume: 20, Issue:13		2014
Pharmacokinetic evaluation of fingolimod for the treatment of multiple sclerosis.
Expert opinion on drug metabolism & toxicology, , Volume: 10, Issue:4		2014
Baseline retinal nerve fiber layer thickness and macular volume quantified by OCT in the North American phase 3 fingolimod trial for relapsing-remitting multiple sclerosis.
Journal of neuro-ophthalmology : the official journal of the North American Neuro-Ophthalmology Society, , Volume: 33, Issue:4		2013
Treatment with the sphingosine-1-phosphate analogue FTY 720 reduces loss of plasma volume during experimental sepsis in the rat.
Acta anaesthesiologica Scandinavica, , Volume: 57, Issue:6		2013
Fingolimod treatment in multiple sclerosis leads to increased macular volume.
Neurology, , Jan-08, Volume: 80, Issue:2		2013
Higher macular volume in patients with MS receiving fingolimod: positive outcome or side effect?
Neurology, , Jan-08, Volume: 80, Issue:2		2013
Pharmacokinetics of fingolimod (FTY720) and a combined oral contraceptive coadministered in healthy women: drug-drug interaction study results.
International journal of clinical pharmacology and therapeutics, , Volume: 50, Issue:8		2012
The sphingosine-1-phosphate analogue FTY720 impairs mucosal immunity and clearance of the enteric pathogen Citrobacter rodentium.
Infection and immunity, , Volume: 80, Issue:8		2012
The utility of pharmacokinetic-pharmacodynamic modeling in the discovery and optimization of selective S1P(1) agonists.
Xenobiotica; the fate of foreign compounds in biological systems, , Volume: 42, Issue:7		2012
Pharmacodynamic effects of steady-state fingolimod on antibody response in healthy volunteers: a 4-week, randomized, placebo-controlled, parallel-group, multiple-dose study.
Journal of clinical pharmacology, , Volume: 52, Issue:12		2012
Clinical pharmacokinetics of fingolimod.
Clinical pharmacokinetics, , Jan-01, Volume: 51, Issue:1		2012
Population pharmacokinetics of fingolimod phosphate in healthy participants.
Journal of clinical pharmacology, , Volume: 52, Issue:7		2012
Pharmacokinetics, pharmacodynamics, safety, and tolerability of single-dose fingolimod (FTY720) in adolescents with stable renal transplants.
Pediatric transplantation, , Volume: 15, Issue:4		2011
The prediction of human response to ONO-4641, a sphingosine 1-phosphate receptor modulator, from preclinical data based on pharmacokinetic-pharmacodynamic modeling.
Biopharmaceutics & drug disposition, , Volume: 31, Issue:7		2010
Pharmacokinetic/pharmacodynamic modelling of 2-acetyl-4(5)-tetrahydroxybutyl imidazole-induced peripheral lymphocyte sequestration through increasing lymphoid sphingosine 1-phosphate.
Xenobiotica; the fate of foreign compounds in biological systems, , Volume: 40, Issue:5		2010
Exogenous and endogenous ceramides elicit volume-sensitive chloride current in ventricular myocytes.
Cardiovascular research, , Apr-01, Volume: 86, Issue:1		2010
Transient FTY720 treatment promotes immune-mediated clearance of a chronic viral infection.
Nature, , Aug-14, Volume: 454, Issue:7206		2008
S1P-lyase independent clearance of extracellular sphingosine 1-phosphate after dephosphorylation and cellular uptake.
Journal of cellular biochemistry, , Jun-01, Volume: 104, Issue:3		2008
Oral-intravenous crossover study of fingolimod pharmacokinetics, lymphocyte responses and cardiac effects.
Biopharmaceutics & drug disposition, , Volume: 28, Issue:2		2007
Oral pharmacokinetic and pharmacodynamic effects of FTY720 in cats.
Journal of veterinary pharmacology and therapeutics, , Volume: 30, Issue:1		2007
Physiologically based pharmacokinetic modeling of FTY720 (2-amino-2[2-(-4-octylphenyl)ethyl]propane-1,3-diol hydrochloride) in rats after oral and intravenous doses.
Drug metabolism and disposition: the biological fate of chemicals, , Volume: 34, Issue:9		2006
Fingolimod (FTY720) in severe hepatic impairment: pharmacokinetics and relationship to markers of liver function.
Journal of clinical pharmacology, , Volume: 46, Issue:2		2006
FTY720, a novel immunomodulator in de novo kidney transplant patients: pharmacokinetics and exposure-response relationship.
Journal of clinical pharmacology, , Volume: 45, Issue:11		2005
Pharmacokinetic/pharmacodynamic relationships of FTY720 in kidney transplant recipients.
Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas, , Volume: 38, Issue:5		2005
FTY720 pharmacokinetics in mild to moderate hepatic impairment.
Journal of clinical pharmacology, , Volume: 45, Issue:4		2005
On the prediction of the human response: a recycled mechanistic pharmacokinetic/pharmacodynamic approach.
Basic & clinical pharmacology & toxicology, , Volume: 96, Issue:3		2005
Volume-sensitive chloride channels (ICl,vol) mediate doxorubicin-induced apoptosis through apoptotic volume decrease in cardiomyocytes.
Fundamental & clinical pharmacology, , Volume: 18, Issue:5		2004
FTY720 and cyclosporine: evaluation for a pharmacokinetic interaction.
The Annals of pharmacotherapy, , Volume: 38, Issue:7-8
Multiple-dose FTY720: tolerability, pharmacokinetics, and lymphocyte responses in healthy subjects.
Journal of clinical pharmacology, , Volume: 44, Issue:5		2004
Single-dose FTY720 pharmacokinetics, food effect, and pharmacological responses in healthy subjects.
British journal of clinical pharmacology, , Volume: 57, Issue:5		2004
Pharmacodynamics of FTY720, the first member of a new class of immune-modulating therapeutics in transplantation medicine.
International journal of clinical pharmacology and therapeutics, , Volume: 41, Issue:10		2003
Pharmacodynamics, pharmacokinetics, and safety of multiple doses of FTY720 in stable renal transplant patients: a multicenter, randomized, placebo-controlled, phase I study.
Transplantation, , Oct-15, Volume: 76, Issue:7		2003
Pharmacodynamics of single doses of the novel immunosuppressant FTY720 in stable renal transplant patients.
American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons, , Volume: 3, Issue:7		2003
Pharmacokinetics and cell trafficking dynamics of 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol hydrochloride (FTY720) in cynomolgus monkeys after single oral and intravenous doses.
The Journal of pharmacology and experimental therapeutics, , Volume: 301, Issue:2		2002
Update on pharmacokinetic/pharmacodynamic studies with FTY720 and sirolimus.
Therapeutic drug monitoring, , Volume: 24, Issue:1		2002
Pilot study on the plasma pharmacokinetics of fumonisin B1 in cows following a single dose by oral gavage or intravenous administration.
Natural toxins, , Volume: 3, Issue:5		1995

Bioavailability (26)

ArticleYear
Formulation, Characterization, and In Vitro/In Vivo Efficacy Studies of a Novel Liposomal Drug Delivery System of Amphiphilic Jaspine B for Treatment of Synovial Sarcoma.
Marine drugs, , Aug-10, Volume: 20, Issue:8		2022
Induction of the sphingosine-1-phosphate signaling pathway by TGF-β1 during Langerhans-type dendritic cell differentiation.
European journal of immunology, , Volume: 51, Issue:7		2021
Malaria link of hypertension: a hidden syndicate of angiotensin II, bradykinin and sphingosine 1-phosphate.
Human cell, , Volume: 34, Issue:3		2021
Pharmacokinetics of Jaspine B and Enhancement of Intestinal Absorption of Jaspine B in the Presence of Bile Acid in Rats.
Marine drugs, , Sep-01, Volume: 15, Issue:9		2017
Selective Absorption of Dietary Sphingoid Bases from the Intestine via Efflux by P-Glycoprotein in Rats.
Journal of nutritional science and vitaminology, , Volume: 63, Issue:1		2017
Lipid Nanosystems Enhance the Bioavailability and the Therapeutic Efficacy of FTY720 in Acute Myeloid Leukemia.
Journal of biomedical nanotechnology, , Volume: 11, Issue:4		2015
Lysophospholipid receptors in drug discovery.
Experimental cell research, , May-01, Volume: 333, Issue:2		2015
Sphingosine 1-phosphate mediates hyperalgesia via a neutrophil-dependent mechanism.
PloS one, , Volume: 8, Issue:1		2013
First-line disease-modifying therapies in paediatric multiple sclerosis: a comprehensive overview.
Drugs, , Jun-18, Volume: 72, Issue:9		2012
Clinical pharmacokinetics of fingolimod.
Clinical pharmacokinetics, , Jan-01, Volume: 51, Issue:1		2012
Population pharmacokinetics of fingolimod phosphate in healthy participants.
Journal of clinical pharmacology, , Volume: 52, Issue:7		2012
Enigmol: a novel sphingolipid analogue with anticancer activity against cancer cell lines and in vivo models for intestinal and prostate cancer.
Molecular cancer therapeutics, , Volume: 10, Issue:4		2011
FTY720 and (S)-FTY720 vinylphosphonate inhibit sphingosine kinase 1 and promote its proteasomal degradation in human pulmonary artery smooth muscle, breast cancer and androgen-independent prostate cancer cells.
Cellular signalling, , Volume: 22, Issue:10		2010
Endothelial functions of sphingosine-1-phosphate.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, , Volume: 26, Issue:1		2010
Mechanism of action of oral fingolimod (FTY720) in multiple sclerosis.
Clinical neuropharmacology, , Volume: 33, Issue:2
Biomarkers of exposure to fumonisin mycotoxins: a review.
Food additives and contaminants, , Volume: 24, Issue:10		2007
Modulation of human arterial tone during pregnancy: the effect of the bioactive metabolite sphingosine-1-phosphate.
Biology of reproduction, , Volume: 77, Issue:1		2007
Antitumor activity of sphingosine kinase inhibitors.
The Journal of pharmacology and experimental therapeutics, , Volume: 318, Issue:2		2006
Sphingosine-1-phosphate modulates spiral modiolar artery tone: A potential role in vascular-based inner ear pathologies?
Cardiovascular research, , Apr-01, Volume: 70, Issue:1		2006
Digestion of maize sphingolipids in rats and uptake of sphingadienine by Caco-2 cells.
The Journal of nutrition, , Volume: 133, Issue:9		2003
FTY720: A new kid on the block for transplant immunosuppression.
Expert opinion on biological therapy, , Volume: 3, Issue:4		2003
Pharmacokinetics and cell trafficking dynamics of 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol hydrochloride (FTY720) in cynomolgus monkeys after single oral and intravenous doses.
The Journal of pharmacology and experimental therapeutics, , Volume: 301, Issue:2		2002
In vitro and in vivo studies to assess the effectiveness of cholestyramine as a binding agent for fumonisins.
Mycopathologia, , Volume: 151, Issue:3		2001
G-protein-coupled receptor stimulation of the p42/p44 mitogen-activated protein kinase pathway is attenuated by lipid phosphate phosphatases 1, 1a, and 2 in human embryonic kidney 293 cells.
The Journal of biological chemistry, , Apr-20, Volume: 276, Issue:16		2001
Immunosuppressive drugs in paediatric liver transplantation.
Paediatric drugs, , Volume: 3, Issue:1		2001
Pilot study on the plasma pharmacokinetics of fumonisin B1 in cows following a single dose by oral gavage or intravenous administration.
Natural toxins, , Volume: 3, Issue:5		1995

Dosage (96)

ArticleYear
[Research advances of the roles of sphingosine-1-phosphate in acute lung injury].
Zhonghua shao shang za zhi = Zhonghua shaoshang zazhi = Chinese journal of burns, , May-20, Volume: 38, Issue:5		2022
Targeting Ceramide Metabolism in Hepatocellular Carcinoma: New Points for Therapeutic Intervention.
Current medicinal chemistry, , Volume: 27, Issue:39		2020
Temperature-Gating Titania Nanotubes Regulate Migration of Endothelial Cells.
ACS applied materials & interfaces, , Jan-09, Volume: 11, Issue:1		2019
Valproic acid enforces the priming effect of sphingosine-1 phosphate on human mesenchymal stem cells.
International journal of molecular medicine, , Volume: 40, Issue:3		2017
Selective inhibition of Ebola entry with selective estrogen receptor modulators by disrupting the endolysosomal calcium.
Scientific reports, , 01-24, Volume: 7		2017
Pathophysiological Consequences of a Break in S1P1-Dependent Homeostasis of Vascular Permeability Revealed by S1P1 Competitive Antagonism.
PloS one, , Volume: 11, Issue:12		2016
Selective Sphingosine 1-Phosphate Receptor 1 Agonist Is Protective Against Ischemia/Reperfusion in Mice.
Stroke, , Volume: 47, Issue:12		2016
Sphingosine-1-Phosphate (S1P) Lyase Inhibition Causes Increased Cardiac S1P Levels and Bradycardia in Rats.
The Journal of pharmacology and experimental therapeutics, , Volume: 359, Issue:1		2016
The influence of metal-based biomaterials functionalized with sphingosine-1-phosphate on the cellular response and osteogenic differentaion potenial of human adipose derived mesenchymal stem cells in vitro.
Journal of biomaterials applications, , Volume: 30, Issue:10		2016
Safety and efficacy of reduced fingolimod dosage treatment.
Journal of neuroimmunology, , Aug-15, Volume: 285		2015
Dose-dependent effects on sphingoid bases and cytokines in chickens fed diets prepared with fusarium verticillioides culture material containing fumonisins.
Toxins, , Apr-13, Volume: 7, Issue:4		2015
[Fingolimod treatment in multiple sclerosis].
Nihon rinsho. Japanese journal of clinical medicine, , Volume: 72, Issue:11		2014
Varicella-zoster virus infections in patients treated with fingolimod: risk assessment and consensus recommendations for management.
JAMA neurology, , Volume: 72, Issue:1		2015
Acidic ionic liquid catalyzed crosslinking of oxycellulose with chitosan for advanced biocomposites.
Carbohydrate polymers, , Nov-26, Volume: 113		2014
Fingolimod: a review of its use in relapsing-remitting multiple sclerosis.
Drugs, , Volume: 74, Issue:12		2014
Fingolimod-associated amenorrhea: a report of three cases.
Multiple sclerosis (Houndmills, Basingstoke, England), , Volume: 20, Issue:12		2014
An update on new and emerging therapies for relapsing-remitting multiple sclerosis.
The American journal of managed care, , Volume: 19, Issue:17 Suppl		2013
Gastric parietal cell atrophy and depletion after administration of a sphingosine-1-phosphate 1 inhibitor.
Toxicologic pathology, , Volume: 42, Issue:1		2014
Dual effects of daily FTY720 on human astrocytes in vitro: relevance for neuroinflammation.
Journal of neuroinflammation, , Mar-19, Volume: 10		2013
Early administration of FTY720 prevents chronic airway as well as vascular destruction in experimental rat lung transplantation.
Transplantation proceedings, , Volume: 45, Issue:2		2013
Inhibition of de novo ceramide biosynthesis by FTY720 protects rat retina from light-induced degeneration.
Journal of lipid research, , Volume: 54, Issue:6		2013
Is this the dose for you?: the role of modeling.
Clinical pharmacology and therapeutics, , Volume: 93, Issue:2		2013
Changes in ceramides and glucosylceramides in mouse skin and human epidermal equivalents by rice-derived glucosylceramide.
Journal of medicinal food, , Volume: 15, Issue:12		2012
Fingolimod in the treatment algorithm of relapsing remitting multiple sclerosis: a statement of the Central and East European (CEE) MS Expert Group.
Wiener medizinische Wochenschrift (1946), , Volume: 162, Issue:15-16		2012
Plasma sphingosine 1-phosphate levels and the risk of vertebral fracture in postmenopausal women.
The Journal of clinical endocrinology and metabolism, , Volume: 97, Issue:10		2012
Cost-effectiveness of early initiation of fingolimod versus delayed initiation after 1 year of intramuscular interferon beta-1a in patients with multiple sclerosis.
Clinical therapeutics, , Volume: 34, Issue:7		2012
Pharmacokinetics of fingolimod (FTY720) and a combined oral contraceptive coadministered in healthy women: drug-drug interaction study results.
International journal of clinical pharmacology and therapeutics, , Volume: 50, Issue:8		2012
First-line disease-modifying therapies in paediatric multiple sclerosis: a comprehensive overview.
Drugs, , Jun-18, Volume: 72, Issue:9		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
Annualized relapse rate of first-line treatments for multiple sclerosis: a meta-analysis, including indirect comparisons versus fingolimod.
Current medical research and opinion, , Volume: 28, Issue:5		2012
Clinical pharmacokinetics of fingolimod.
Clinical pharmacokinetics, , Jan-01, Volume: 51, Issue:1		2012
Therapeutic dosing of fingolimod (FTY720) prevents cell infiltration, rapidly suppresses ocular inflammation, and maintains the blood-ocular barrier.
The American journal of pathology, , Volume: 180, Issue:2		2012
S1P(1) receptor modulation with cyclical recovery from lymphopenia ameliorates mouse model of multiple sclerosis.
Molecular pharmacology, , Volume: 81, Issue:2		2012
Prevention of ocular scarring after glaucoma filtering surgery using the monoclonal antibody LT1009 (Sonepcizumab) in a rabbit model.
Journal of glaucoma, , Volume: 22, Issue:2		2013
Fingolimod: a review of its use in the management of relapsing-remitting multiple sclerosis.
CNS drugs, , Volume: 25, Issue:8		2011
Characterization of a sphingosine 1-phosphate receptor antagonist prodrug.
The Journal of pharmacology and experimental therapeutics, , Volume: 338, Issue:3		2011
Pharmacokinetics, pharmacodynamics, safety, and tolerability of single-dose fingolimod (FTY720) in adolescents with stable renal transplants.
Pediatric transplantation, , Volume: 15, Issue:4		2011
Metabolite modulation of HeLa cell response to ENOX2 inhibitors EGCG and phenoxodiol.
Biochimica et biophysica acta, , Volume: 1810, Issue:8		2011
Enigmol: a novel sphingolipid analogue with anticancer activity against cancer cell lines and in vivo models for intestinal and prostate cancer.
Molecular cancer therapeutics, , Volume: 10, Issue:4		2011
Fingolimod: an oral disease-modifying therapy for relapsing multiple sclerosis.
Advances in therapy, , Volume: 28, Issue:4		2011
Pharmacokinetic/pharmacodynamic modelling of 2-acetyl-4(5)-tetrahydroxybutyl imidazole-induced peripheral lymphocyte sequestration through increasing lymphoid sphingosine 1-phosphate.
Xenobiotica; the fate of foreign compounds in biological systems, , Volume: 40, Issue:5		2010
Discovery of a novel series of potent S1P1 agonists.
Bioorganic & medicinal chemistry letters, , Mar-01, Volume: 20, Issue:5		2010
Protein kinase C isotypes in signal transduction for the 1,25D3-MARRS receptor (ERp57/PDIA3) in steroid hormone-stimulated phosphate uptake.
Steroids, , Volume: 75, Issue:4-5		2010
Involvement of mitochondria on neuroprotective effect of sphingosine-1-phosphate in cell death in an in vitro model of brain ischemia.
Neuroscience letters, , Feb-12, Volume: 470, Issue:2		2010
Treatment with a sphingosine analog does not alter the outcome of a persistent virus infection.
Virology, , Feb-20, Volume: 397, Issue:2		2010
Use of an exposure-response model to aid early drug development of an oral sphingosine 1-phosphate receptor modulator.
Journal of clinical pharmacology, , Volume: 49, Issue:1		2009
FTY720 therapy exerts differential effects on T cell subsets in multiple sclerosis.
Neurology, , Oct-14, Volume: 71, Issue:16		2008
Attenuation of cell motility observed with high doses of sphingosine 1-phosphate or phosphorylated FTY720 involves RGS2 through its interactions with the receptor S1P.
Genes to cells : devoted to molecular & cellular mechanisms, , Volume: 13, Issue:7		2008
The effect on heart rate of combining single-dose fingolimod with steady-state atenolol or diltiazem in healthy subjects.
European journal of clinical pharmacology, , Volume: 64, Issue:5		2008
Brain penetration of the oral immunomodulatory drug FTY720 and its phosphorylation in the central nervous system during experimental autoimmune encephalomyelitis: consequences for mode of action in multiple sclerosis.
The Journal of pharmacology and experimental therapeutics, , Volume: 323, Issue:2		2007
Safingol toxicology after oral administration to TRAMP mice: demonstration of safingol uptake and metabolism by N-acylation and N-methylation.
Drug and chemical toxicology, , Volume: 30, Issue:3		2007
A fluorescence microplate cytotoxicity assay with a 4-log dynamic range that identifies synergistic drug combinations.
Molecular cancer therapeutics, , Volume: 6, Issue:3		2007
Oral pharmacokinetic and pharmacodynamic effects of FTY720 in cats.
Journal of veterinary pharmacology and therapeutics, , Volume: 30, Issue:1		2007
Marked suppression of tumor growth by FTY720 in a rat liver tumor model: the significance of down-regulation of cell survival Akt pathway.
International journal of oncology, , Volume: 30, Issue:2		2007
Physiologically based pharmacokinetic modeling of FTY720 (2-amino-2[2-(-4-octylphenyl)ethyl]propane-1,3-diol hydrochloride) in rats after oral and intravenous doses.
Drug metabolism and disposition: the biological fate of chemicals, , Volume: 34, Issue:9		2006
Selective sphingosine 1-phosphate 1 receptor activation reduces ischemia-reperfusion injury in mouse kidney.
American journal of physiology. Renal physiology, , Volume: 290, Issue:6		2006
FTY720: a promising agent for treatment of metastatic hepatocellular carcinoma.
Clinical cancer research : an official journal of the American Association for Cancer Research, , Dec-01, Volume: 11, Issue:23		2005
Enhanced susceptibility to kainate-induced seizures, neuronal apoptosis, and death in mice lacking gangliotetraose gangliosides: protection with LIGA 20, a membrane-permeant analog of GM1.
The Journal of neuroscience : the official journal of the Society for Neuroscience, , Nov-23, Volume: 25, Issue:47		2005
Sphingosine kinase type 2 is essential for lymphopenia induced by the immunomodulatory drug FTY720.
Blood, , Feb-15, Volume: 107, Issue:4		2006
Sphingosylphosphorylcholine antagonizes proton-sensing ovarian cancer G-protein-coupled receptor 1 (OGR1)-mediated inositol phosphate production and cAMP accumulation.
Journal of pharmacological sciences, , Volume: 99, Issue:2		2005
Characterization of the bactericidal effect of dietary sphingosine and its activity under intestinal conditions.
International journal of food microbiology, , Nov-15, Volume: 105, Issue:1		2005
Treatment of focal cerebral ischemia with liposomal nerve growth factor.
Drug delivery, , Volume: 11, Issue:5
Lysophosphatidic acid triggers calcium entry through a non-store-operated pathway in human neutrophils.
Journal of leukocyte biology, , Volume: 77, Issue:2		2005
FTY720 immunomodulation: optimism for improved transplant regimens.
Transplantation proceedings, , Volume: 36, Issue:2 Suppl		2004
FTY720: early clinical experience.
Transplantation proceedings, , Volume: 36, Issue:2 Suppl		2004
Prolactin acts as a potent survival factor against C2-ceramide-induced apoptosis in human granulosa cells.
Human reproduction (Oxford, England), , Volume: 18, Issue:12		2003
Pharmacodynamics of single doses of the novel immunosuppressant FTY720 in stable renal transplant patients.
American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons, , Volume: 3, Issue:7		2003
Role of proliferation in the toxicity of fumonisin B1: enhanced hepatotoxic response in the partially hepatectomized rat.
Journal of toxicology and environmental health. Part A, , Aug-11, Volume: 60, Issue:7		2000
Efficacy of mycophenolate sodium as monotherapy and in combination with FTY720 in a DA-to-Lewis-rat heart-transplantation model.
Transplantation, , Nov-27, Volume: 74, Issue:10		2002
Effects of immunosuppressant FTY720 on renal and hepatic hemodynamics in the rat.
Transplantation, , Sep-15, Volume: 74, Issue:5		2002
Granulocyte colony-stimulating factor primes NADPH oxidase in neutrophils through translocation of cytochrome b(558) by gelatinase-granule release.
The Journal of laboratory and clinical medicine, , Volume: 140, Issue:1		2002
Antitumor activity of protein kinase C inhibitors and cisplatin in human head and neck squamous cell carcinoma lines.
Anti-cancer drugs, , Volume: 13, Issue:1		2002
First human trial of FTY720, a novel immunomodulator, in stable renal transplant patients.
Journal of the American Society of Nephrology : JASN, , Volume: 13, Issue:4		2002
Migration of vascular smooth muscle cells induced by sphingosine 1-phosphate and related lipids: potential role in the angiogenic response.
Experimental cell research, , Apr-01, Volume: 274, Issue:2		2002
Marked prevention of tumor growth and metastasis by a novel immunosuppressive agent, FTY720, in mouse breast cancer models.
Cancer research, , Mar-01, Volume: 62, Issue:5		2002
Sphingosine-1-phosphate, a platelet-derived lysophospholipid mediator, negatively regulates cellular Rac activity and cell migration in vascular smooth muscle cells.
Circulation research, , Feb-22, Volume: 90, Issue:3		2002
[mTOR and FTY 720 inhibitors].
Presse medicale (Paris, France : 1983), , Sep-01, Volume: 30, Issue:24 Pt 2		2001
Coexpression of CD4 and CD8alpha on rat T-cells in whole blood: a sensitive marker for monitoring T-cell immunosuppressive drugs.
Journal of immunological methods, , Aug-01, Volume: 254, Issue:1-2		2001
Long-term graft acceptance in rat heart transplantation by CTLA4Ig gene transfection combined with FTY720 treatment.
World journal of surgery, , Volume: 25, Issue:4		2001
Fumonisin B(1) increases serum sphinganine concentration but does not alter serum sphingosine concentration or induce cardiovascular changes in milk-fed calves.
Toxicological sciences : an official journal of the Society of Toxicology, , Volume: 60, Issue:2		2001
The effect of repeated gavage doses of fumonisin B1 on the sphinganine and sphingosine levels in vervet monkeys.
Toxicon : official journal of the International Society on Toxinology, , Volume: 39, Issue:7		2001
The peripheral lymphocyte count predicts graft survival in DA to Lewis heterotopic heart transplantation treated with FTY720 and SDZ RAD.
Transplant immunology, , Volume: 8, Issue:2		2000
The effect of a single gavage dose of fumonisin B(1) on the sphinganine and sphingosine levels in vervet monkeys.
Toxicon : official journal of the International Society on Toxinology, , Volume: 39, Issue:2-3
Convergence of Fc gamma receptor IIA and Fc gamma receptor IIIB signaling pathways in human neutrophils.
Journal of immunology (Baltimore, Md. : 1950), , Jan-01, Volume: 164, Issue:1		2000
Ceramide triggers p53-dependent apoptosis in genetically defined fibrosarcoma tumour cells.
British journal of cancer, , Volume: 80, Issue:5-6		1999
Development of fumonisin-induced hepatotoxicity and pulmonary edema in orally dosed swine: morphological and biochemical alterations.
Toxicologic pathology, , Volume: 26, Issue:6
Pilot study on the plasma pharmacokinetics of fumonisin B1 in cows following a single dose by oral gavage or intravenous administration.
Natural toxins, , Volume: 3, Issue:5		1995
Cyclic adenosine monophosphate response in primary and subcultured bladder epithelial cells: inhibition by 12-O-tetradecanoylphorbol-13-acetate.
Metabolism: clinical and experimental, , Volume: 42, Issue:3		1993
Regulation of sphingosine-activated protein kinases: selectivity of activation by sphingoid bases and inhibition by non-esterified fatty acids.
The Biochemical journal, , Sep-15, Volume: 294 ( Pt 3)		1993
Fumonisin B1 inhibits sphingosine (sphinganine) N-acyltransferase and de novo sphingolipid biosynthesis in cultured neurons in situ.
The Journal of biological chemistry, , Dec-25, Volume: 268, Issue:36		1993
Liposomal N,N,N-trimethylsphingosine (TMS) as an inhibitor of B16 melanoma cell growth and metastasis with reduced toxicity and enhanced drug efficacy compared to free TMS: cell membrane signaling as a target in cancer therapy III.
Cancer research, , Apr-15, Volume: 54, Issue:8		1994
Sphingosine-1-phosphate, a putative second messenger, mobilizes calcium from internal stores via an inositol trisphosphate-independent pathway.
The Journal of biological chemistry, , Feb-04, Volume: 269, Issue:5		1994
Sphingosine-1-phosphate: a platelet-activating sphingolipid released from agonist-stimulated human platelets.
Blood, , Jul-01, Volume: 86, Issue:1		1995
25-Hydroxycholesterol stimulates sphingomyelin synthesis in Chinese hamster ovary cells.
Journal of lipid research, , Volume: 36, Issue:6		1995
Inhibition of the induction of ornithine decarboxylase activity by 12-O-tetradecanoylphorbol-13-acetate in mouse skin by sphingosine sulfate.
Carcinogenesis, , Volume: 10, Issue:2		1989
Collagen-induced platelet activation mainly involves the protein kinase C pathway.
The Biochemical journal, , Jun-01, Volume: 268, Issue:2		1990

Interactions (27)

ArticleYear
Individual variation of human S1P₁ coding sequence leads to heterogeneity in receptor function and drug interactions.
Journal of lipid research, , Volume: 55, Issue:12		2014
A sphingosine kinase inhibitor combined with temozolomide induces glioblastoma cell death through accumulation of dihydrosphingosine and dihydroceramide, endoplasmic reticulum stress and autophagy.
Cell death & disease, , Sep-25, Volume: 5		2014
Anti-TCR therapy combined with fingolimod for reversal of diabetic hyperglycemia by β cell regeneration in the LEW.1AR1-iddm rat model of type 1 diabetes.
Journal of molecular medicine (Berlin, Germany), , Volume: 92, Issue:7		2014
[Therapeutic approach to mite-induced intractable dermatitis using novel immunomodulator FTY720 (fingolimod) in combination with betamethasone ointment in NC/Nga mice].
Arerugi = [Allergy], , Volume: 61, Issue:7		2012
Therapeutic approach to steroid-resistant dermatitis using novel immunomodulator FTY720 (Fingolimod) in combination with betamethasone ointment in NC/Nga mice.
Biological & pharmaceutical bulletin, , Volume: 35, Issue:8		2012
[Antitumor effect of sphingosine kinase 1 inhibitor in combination with chemotherapy on SGC7901 gastric cancer cells in vitro].
Zhonghua zhong liu za zhi [Chinese journal of oncology], , Volume: 34, Issue:2		2012
Pharmacokinetics of fingolimod (FTY720) and a combined oral contraceptive coadministered in healthy women: drug-drug interaction study results.
International journal of clinical pharmacology and therapeutics, , Volume: 50, Issue:8		2012
FTY720 combined with tacrolimus in de novo renal transplantation: 1-year, multicenter, open-label randomized study.
Nephrology, dialysis, transplantation : official publication of the European Dialysis and Transplant Association - European Renal Association, , Volume: 26, Issue:11		2011
A phase I clinical trial of safingol in combination with cisplatin in advanced solid tumors.
Clinical cancer research : an official journal of the American Association for Cancer Research, , Apr-15, Volume: 17, Issue:8		2011
Sirolimus in combination with FTY720: analysis of urinary and serum parameters.
Transplantation proceedings, , Volume: 42, Issue:2		2010
Ketoconazole increases fingolimod blood levels in a drug interaction via CYP4F2 inhibition.
Journal of clinical pharmacology, , Volume: 49, Issue:2		2009
Treatment of chronic allograft nephropathy at late stages using everolimus or FTY720 in combination with cyclosporine.
Transplantation proceedings, , Volume: 40, Issue:10		2008
A fluorescence microplate cytotoxicity assay with a 4-log dynamic range that identifies synergistic drug combinations.
Molecular cancer therapeutics, , Volume: 6, Issue:3		2007
Tacrolimus in combination with FTY720--an analysis of renal and blood parameters.
International immunopharmacology, , Dec-20, Volume: 6, Issue:13-14		2006
FTY720 in combination with cyclosporine--an analysis of skin allograft survival and renal function.
International immunopharmacology, , Dec-20, Volume: 6, Issue:13-14		2006
Phytosphingosine in combination with TRAIL sensitizes cancer cells to TRAIL through synergistic up-regulation of DR4 and DR5.
Oncology reports, , Volume: 17, Issue:1		2007
Text mining of full-text journal articles combined with gene expression analysis reveals a relationship between sphingosine-1-phosphate and invasiveness of a glioblastoma cell line.
BMC bioinformatics, , Aug-10, Volume: 7		2006
Fat-derived hormone adiponectin combined with FTY720 significantly improves small-for-size fatty liver graft survival.
American journal of transplantation : official journal of the American Society of Transplantation and the American Society of Transplant Surgeons, , Volume: 6, Issue:3		2006
Phytosphingosine in combination with ionizing radiation enhances apoptotic cell death in radiation-resistant cancer cells through ROS-dependent and -independent AIF release.
Blood, , Feb-15, Volume: 105, Issue:4		2005
Efficacy of mycophenolate sodium as monotherapy and in combination with FTY720 in a DA-to-Lewis-rat heart-transplantation model.
Transplantation, , Nov-27, Volume: 74, Issue:10		2002
Long-term graft acceptance in rat heart transplantation by CTLA4Ig gene transfection combined with FTY720 treatment.
World journal of surgery, , Volume: 25, Issue:4		2001
Immunosuppressive therapy using FTY720 combined with tacrolimus in rat liver transplantation.
Surgery, , Volume: 127, Issue:1		2000
A pilot clinical/pharmacological study of the protein kinase C-specific inhibitor safingol alone and in combination with doxorubicin.
Clinical cancer research : an official journal of the American Association for Cancer Research, , Volume: 3, Issue:4		1997
Effect of peritransplant FTY720 alone or in combination with post-transplant tacrolimus in a rat model of cardiac allotransplantation.
Transplant international : official journal of the European Society for Organ Transplantation, , Volume: 11, Issue:4		1998
Immunosuppressive effects of FTY720 alone or in combination with cyclosporine and/or sirolimus.
Transplantation, , Apr-15, Volume: 65, Issue:7		1998
An immunosuppressive regimen using FTY720 combined with cyclosporin in canine kidney transplantation.
Transplant international : official journal of the European Society for Organ Transplantation, , Volume: 11, Issue:2		1998
Presence of phytosphingosine combined with 2-hydroxy fatty acids in sphingomyelins of bovine kidney and intestinal mucosa.
Lipids, , Volume: 10, Issue:1		1975