Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
methionine | [no description available] | medium | 1 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
glutaric acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | Daphnia magna metabolite; human metabolite |
lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
methyl chloroformate | [no description available] | medium | 1 | 0 | | |
lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
deuterium | [no description available] | medium | 2 | 1 | dihydrogen | |
acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
trichloroethylene | [no description available] | medium | 1 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
guanidine | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
boric acid | [no description available] | medium | 1 | 0 | boric acids | astringent |
glycine | [no description available] | medium | 1 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
methylguanidine | [no description available] | medium | 1 | 0 | guanidines | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin |
butyric acid | [no description available] | medium | 1 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
arginine | [no description available] | medium | 2 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
guanidinosuccinic acid | [no description available] | medium | 1 | 0 | L-alpha-amino acid anion | |
guanidinopropionic acid | [no description available] | medium | 1 | 0 | guanidines; zwitterion | hypoglycemic agent |
acetone | [no description available] | medium | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
glycocyamine | [no description available] | medium | 1 | 0 | guanidinoacetic acids; zwitterion | bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
isoleucine | [no description available] | medium | 2 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
linoleic acid | [no description available] | medium | 1 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
leucine | [no description available] | medium | 2 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
myristic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite |
valine | [no description available] | medium | 1 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
hydrazine | [no description available] | medium | 1 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent; drug allergen |
trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
spermine | [no description available] | medium | 2 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
spermidine | [no description available] | medium | 3 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
putrescine | [no description available] | medium | 3 | 0 | alkane-alpha,omega-diamine | antioxidant; fundamental metabolite |
bisphenol a | [no description available] | medium | 1 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
pregabalin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
gamma-aminobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
sodium sulfate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
sorbic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; sorbic acid | |
muconic acid | [no description available] | medium | 1 | 0 | muconic acid | biomarker; human xenobiotic metabolite |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | [no description available] | medium | 1 | 0 | methylpyridines; phenylpyridine; tetrahydropyridine | neurotoxin |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
3-methoxytyramine | [no description available] | medium | 1 | 0 | monomethoxybenzene; phenols; phenylethylamine; primary amino compound | biomarker; human blood serum metabolite; human urinary metabolite |
homovanillic acid | [no description available] | medium | 1 | 0 | guaiacols; monocarboxylic acid | human metabolite; mouse metabolite |
glyoxal | [no description available] | medium | 1 | 0 | dialdehyde | agrochemical; allergen; pesticide; plant growth regulator |
fenclonine | [no description available] | medium | 1 | 0 | phenylalanine derivative | |
sodium hydroxide | [no description available] | medium | 1 | 0 | alkali metal hydroxide | |
pyridine | [no description available] | medium | 1 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
tyramine | [no description available] | medium | 1 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
phenyl acetate | [no description available] | medium | 2 | 0 | benzenes; phenyl acetates | |
allyl chloroformate | [no description available] | medium | 1 | 0 | | |
acetyl chloride | [no description available] | medium | 1 | 0 | acyl chloride | |
trichloroacetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; organochlorine compound | |
chlorine | [no description available] | medium | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
beta-n-methylamino-l-alanine | [no description available] | medium | 1 | 0 | diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound | bacterial metabolite; neurotoxin |
fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
desipramine | [no description available] | medium | 1 | 0 | dibenzoazepine; secondary amino compound | adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor |
glutaral | [no description available] | medium | 1 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
chlorine | [no description available] | medium | 2 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
n(1)-acetylspermidine | [no description available] | medium | 1 | 0 | acetylspermidine | Escherichia coli metabolite; metabolite |
n-acetylputrescine | [no description available] | medium | 1 | 0 | N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine | metabolite; mouse metabolite |
cadaverine | [no description available] | medium | 1 | 0 | alkane-alpha,omega-diamine | Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite |
n(8)-acetylspermidine | [no description available] | medium | 1 | 0 | acetylspermidine | Escherichia coli metabolite; human metabolite |
monoacetylcadaverine | [no description available] | medium | 1 | 0 | acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide | human metabolite |
tyrosine | [no description available] | medium | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
asparagine | [no description available] | medium | 1 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
glutamine | [no description available] | medium | 1 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
8-aminoquinoline | [no description available] | medium | 1 | 0 | | |
primaquine | [no description available] | medium | 1 | 0 | aminoquinoline; aromatic ether; N-substituted diamine | antimalarial |
ibuprofen | [no description available] | medium | 2 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
eedq | [no description available] | medium | 1 | 0 | | |
trifluoroethanol | [no description available] | medium | 1 | 1 | fluoroalcohol | |
cyclic-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine | [no description available] | medium | 1 | 0 | | |
cidofovir anhydrous | [no description available] | medium | 1 | 0 | phosphonic acids; pyrimidone | anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent |
cytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
organophosphonates | [no description available] | medium | 1 | 0 | divalent inorganic anion; phosphite ion | |
1-(1-naphthyl)ethylamine | [no description available] | medium | 1 | 0 | | |
1-butanol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
propylene oxide | [no description available] | medium | 1 | 0 | epoxide | |
propiolactone | [no description available] | medium | 1 | 0 | propan-3-olide | |
methyl methanesulfonate | [no description available] | medium | 1 | 0 | methanesulfonate ester | alkylating agent; apoptosis inducer; carcinogenic agent; genotoxin; mutagen |
2,2-dichloroacetyl chloride | [no description available] | medium | 1 | 0 | acyl chloride | hapten |
indoprofen | [no description available] | medium | 1 | 0 | gamma-lactam; isoindoles; monocarboxylic acid | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |