Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
lysine | [no description available] | medium | 12 | 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 |
lysine | [no description available] | medium | 12 | 1 | 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 |
arginine | [no description available] | medium | 2,192 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
arginine | [no description available] | medium | 2,192 | 220 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
homocysteine | [no description available] | medium | 130 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
homocysteine | [no description available] | medium | 130 | 16 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
s-nitrosoglutathione | [no description available] | medium | 2 | 0 | glutathione derivative; nitrosothio compound | bronchodilator agent; nitric oxide donor; platelet aggregation inhibitor; signalling molecule |
s-methylthiocitrulline | [no description available] | high | 2 | 0 | 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 |
omega-n-methylarginine | [no description available] | medium | 74 | 0 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
omega-n-methylarginine | [no description available] | medium | 74 | 1 | amino acid zwitterion; arginine derivative; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
s-nitrosohomocysteine | [no description available] | medium | 1 | 0 | | |
citrulline | [no description available] | medium | 56 | 0 | amino acid zwitterion; citrulline | Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite |
citrulline | [no description available] | medium | 56 | 6 | 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 |
n(g)-iminoethylornithine | [no description available] | medium | 2 | 0 | L-alpha-amino acid | |
n(g),n(g')-dimethyl-l-arginine | [no description available] | medium | 2,203 | 220 | alpha-amino acid | |
symmetric dimethylarginine | [no description available] | high | 240 | 0 | amino acid zwitterion; dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
symmetric dimethylarginine | [no description available] | high | 240 | 19 | amino acid zwitterion; dimethylarginine; guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
dimethylarginine | [no description available] | medium | 47 | 4 | | |
cholecalciferol | [no description available] | medium | 3 | 1 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
nad | [no description available] | medium | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
s-adenosylmethionine | [no description available] | medium | 8 | 0 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
metformin | [no description available] | medium | 15 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
metformin | [no description available] | medium | 15 | 8 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
thyroxine | [no description available] | medium | 4 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
ornithine | [no description available] | medium | 15 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
glucose, (beta-d)-isomer | [no description available] | medium | 1 | 1 | D-glucopyranose | epitope; mouse metabolite |
dapagliflozin | [no description available] | medium | 1 | 1 | aromatic ether; C-glycosyl compound; monochlorobenzenes | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor |
empagliflozin | [no description available] | medium | 1 | 1 | aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether | hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor |
homoarginine | [no description available] | medium | 37 | 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 |
homoarginine | [no description available] | medium | 37 | 6 | 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 |
malondialdehyde | [no description available] | medium | 46 | 8 | dialdehyde | biomarker |
nitrites | [no description available] | medium | 84 | 17 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
nitrates | [no description available] | medium | 82 | 17 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
valproic acid | [no description available] | medium | 5 | 0 | branched-chain fatty acid; branched-chain saturated fatty acid | anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent |
levetiracetam | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | anticonvulsant; environmental contaminant; xenobiotic |
ng-nitroarginine methyl ester | [no description available] | high | 39 | 0 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
ng-nitroarginine methyl ester | [no description available] | high | 39 | 2 | alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
dehydroepiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
nitroglycerin | [no description available] | medium | 7 | 1 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
resveratrol | [no description available] | medium | 7 | 1 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
trimethyloxamine | [no description available] | medium | 5 | 0 | tertiary amine oxide | Escherichia coli metabolite; metabolite; osmolyte |
glucagon-like peptide 1 | [no description available] | medium | 3 | 1 | | |
D-fructopyranose | [no description available] | medium | 3 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
exenatide | [no description available] | medium | 2 | 0 | | |
sitagliptin phosphate | [no description available] | medium | 1 | 0 | | |
tryptophan | [no description available] | medium | 2 | 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 |
endothelin-1 | [no description available] | medium | 38 | 6 | | |
aldosterone | [no description available] | medium | 4 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
angiotensin ii | [no description available] | medium | 19 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
losartan | [no description available] | medium | 12 | 1 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
melatonin | [no description available] | medium | 8 | 0 | acetamides; tryptamines | anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger |
methotrexate | [no description available] | medium | 3 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
cadmium | [no description available] | medium | 1 | 0 | cadmium molecular entity; zinc group element atom | |
urea | [no description available] | medium | 12 | 1 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
uric acid | [no description available] | medium | 15 | 5 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
selenium | [no description available] | medium | 3 | 2 | chalcogen; nonmetal atom | micronutrient |
zinc oxide | [no description available] | medium | 2 | 0 | zinc molecular entity | |
iopromide | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; organoiodine compound | environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic |
iohexol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
piperidines | [no description available] | medium | 1 | 0 | | |
amikacin | [no description available] | medium | 1 | 0 | | |
quercetin | [no description available] | medium | 5 | 1 | 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 |
cellulose | [no description available] | medium | 1 | 0 | glycoside | |
(3,4-dihydroxyphenylamino)-2-imidazoline | [no description available] | medium | 1 | 0 | | |
tetramethylpyrazine | [no description available] | medium | 1 | 0 | alkaloid; pyrazines | antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent |
pyrazines | [no description available] | medium | 1 | 0 | diazine; pyrazines | Daphnia magna metabolite |
ampelopsin | [no description available] | medium | 1 | 0 | dihydromyricetin; secondary alpha-hydroxy ketone | antineoplastic agent; antioxidant; metabolite |
3-hydroxyflavone | [no description available] | medium | 1 | 0 | flavonols; monohydroxyflavone | |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
dipyridamole | [no description available] | medium | 4 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
retinol | [no description available] | medium | 2 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
caffeic acid phenethyl ester | [no description available] | medium | 2 | 0 | alkyl caffeate ester | anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent |
phenylethyl alcohol | [no description available] | medium | 2 | 0 | benzenes; primary alcohol | Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite |
febuxostat | [no description available] | medium | 2 | 2 | 1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile | EC 1.17.3.2 (xanthine oxidase) inhibitor |
allopurinol | [no description available] | medium | 5 | 2 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
benzbromarone | [no description available] | medium | 1 | 1 | 1-benzofurans; aromatic ketone | uricosuric drug |
sodium nitrite | [no description available] | medium | 1 | 1 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
isoquercitrin | [no description available] | medium | 1 | 1 | | |
adenosine diphosphate | [no description available] | medium | 2 | 1 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
adenosine | [no description available] | medium | 4 | 2 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
tamoxifen | [no description available] | medium | 2 | 0 | stilbenoid; tertiary amino compound | angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator |
natriuretic peptide, brain | [no description available] | medium | 29 | 3 | polypeptide | |
proline | [no description available] | medium | 2 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
adenine | [no description available] | medium | 1 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
3-methyladenine | [no description available] | medium | 1 | 0 | | |
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 |
acetylcysteine | [no description available] | medium | 8 | 0 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
corticosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
3-nitrotyrosine | [no description available] | medium | 15 | 3 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
tyrosine | [no description available] | medium | 16 | 3 | 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 |
pantoprazole | [no description available] | medium | 2 | 0 | aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic |
indomethacin | [no description available] | medium | 4 | 0 | aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole | analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic |
perindopril | [no description available] | medium | 3 | 0 | alpha-amino acid ester; dicarboxylic acid monoester; ethyl ester; organic heterobicyclic compound | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
mocetinostat | [no description available] | medium | 17 | 1 | 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 |
glycine | [no description available] | medium | 9 | 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 |
methionine | [no description available] | medium | 18 | 1 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
25-hydroxyvitamin d 2 | [no description available] | medium | 1 | 1 | hydroxycalciol; seco-ergostane; vitamin D | bone density conservation agent; human xenobiotic metabolite; nutraceutical |
pyrazolanthrone | [no description available] | medium | 1 | 0 | anthrapyrazole; aromatic ketone; cyclic ketone | antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector |
neurokinin a | [no description available] | medium | 1 | 0 | | |
cysteine | [no description available] | medium | 4 | 0 | cysteinium | fundamental metabolite |
losartan potassium | [no description available] | medium | 15 | 2 | | |
bilirubin | [no description available] | medium | 2 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
phytosterols | [no description available] | medium | 1 | 1 | | |
campesterol | [no description available] | medium | 1 | 1 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols | mouse metabolite |
glycocyamine | [no description available] | medium | 2 | 0 | guanidinoacetic acids; zwitterion | bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
atrial natriuretic factor | [no description available] | medium | 2 | 0 | polypeptide | |
1-hydroxypyrene | [no description available] | medium | 1 | 0 | pyrenes | |
stilbenes | [no description available] | medium | 4 | 1 | stilbene | |
arginine methyl ester | [no description available] | medium | 2 | 0 | alpha-amino acid ester | |
(3S,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | [no description available] | medium | 3 | 2 | (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid | |
valsartan | [no description available] | medium | 10 | 6 | biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
paricalcitol | [no description available] | medium | 1 | 1 | hydroxy seco-steroid; seco-cholestane | antiparathyroid drug |
vitamin d 2 | [no description available] | medium | 2 | 1 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
lysophosphatidylcholines | [no description available] | medium | 6 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
phosphatidylcholines | [no description available] | medium | 2 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
hippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | human blood serum metabolite; uremic toxin |
phosphorus | [no description available] | medium | 1 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
indican | [no description available] | medium | 4 | 1 | beta-D-glucoside; exopolysaccharide; indolyl carbohydrate | |
hydrogen sulfide | [no description available] | medium | 10 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
diclofenac | [no description available] | medium | 1 | 0 | amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound | antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
celecoxib | [no description available] | medium | 2 | 0 | organofluorine compound; pyrazoles; sulfonamide; toluenes | cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
prednisolone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic |
glycolipids | [no description available] | medium | 1 | 0 | | |
sildenafil citrate | [no description available] | medium | 7 | 0 | citrate salt | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
ammonium hydroxide | [no description available] | medium | 2 | 0 | 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 |
8-epi-prostaglandin f2alpha | [no description available] | medium | 14 | 4 | F2-isoprostane | biomarker; bronchoconstrictor agent; vasoconstrictor agent |
dinoprost | [no description available] | medium | 14 | 4 | monocarboxylic acid; prostaglandins Falpha | human metabolite; mouse metabolite |
betaine | [no description available] | medium | 1 | 0 | amino-acid betaine; glycine derivative | fundamental metabolite |
interleukin-8 | [no description available] | medium | 8 | 0 | | |
apelin-13 peptide | [no description available] | medium | 4 | 0 | oligopeptide | antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent |
lead | [no description available] | medium | 1 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
chenodeoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human metabolite; mouse metabolite |
obeticholic acid | [no description available] | medium | 1 | 0 | 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; dihydroxy-5beta-cholanic acid | farnesoid X receptor agonist; hepatoprotective agent |
agmatine | [no description available] | medium | 1 | 0 | guanidines; primary amino compound | Escherichia coli metabolite; mouse metabolite |
kynurenine | [no description available] | medium | 2 | 0 | aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline | human metabolite |
neopterin | [no description available] | medium | 3 | 0 | | |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
atenolol | [no description available] | medium | 4 | 1 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
7-nitroindazole | [no description available] | medium | 4 | 0 | | |
indazoles | [no description available] | medium | 4 | 0 | indazole | |
thioacetamide | [no description available] | medium | 3 | 0 | thiocarboxamide | hepatotoxic agent |
glutamine | [no description available] | medium | 2 | 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 |
cyclic gmp | [no description available] | medium | 43 | 6 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
probucol | [no description available] | medium | 5 | 1 | dithioketal; polyphenol | anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug |
arsenic | [no description available] | medium | 3 | 0 | metalloid atom; pnictogen | micronutrient |
leptin | [no description available] | medium | 9 | 1 | | |
deoxyguanosine | [no description available] | medium | 8 | 2 | purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-hydroxy-2'-deoxyguanosine | [no description available] | medium | 8 | 2 | guanosines | biomarker |
dimethylamine | [no description available] | medium | 4 | 0 | methylamines; secondary aliphatic amine | metabolite |
loganic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid; cyclopentapyran; glucoside | plant metabolite |
iridoids | [no description available] | medium | 1 | 0 | | |
imidazolone | [no description available] | medium | 1 | 1 | organonitrogen heterocyclic compound | |
pyruvaldehyde | [no description available] | medium | 3 | 1 | 2-oxo aldehyde; propanals | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
lactic acid | [no description available] | medium | 3 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
catechin | [no description available] | medium | 6 | 1 | catechin | antioxidant; plant metabolite |
procyanidin b2 | [no description available] | medium | 1 | 0 | biflavonoid; hydroxyflavan; polyphenol; proanthocyanidin | antioxidant; metabolite |
procyanidin | [no description available] | medium | 1 | 0 | proanthocyanidin | |
niacinamide | [no description available] | medium | 2 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
dronedarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound | anti-arrhythmia drug; environmental contaminant; xenobiotic |
silver | [no description available] | medium | 1 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
osteoprotegerin | [no description available] | medium | 7 | 0 | long-chain fatty acid | |
angiotensin i | [no description available] | medium | 2 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
angiotensin ii, des-phe(8)- | [no description available] | medium | 2 | 0 | amino acid zwitterion; angiotensin | vasodilator agent |
n-epsilon-acetyllysine | [no description available] | medium | 1 | 0 | acetyl-L-lysine; amino acid zwitterion; N(6)-acyl-L-lysine | human metabolite |
carnitine | [no description available] | medium | 4 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
salvianolic acid a | [no description available] | medium | 1 | 0 | stilbenoid | |
aspirin | [no description available] | medium | 7 | 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 |
cardiovascular agents | [no description available] | medium | 12 | 3 | | |
ezetimibe | [no description available] | medium | 5 | 2 | azetidines; beta-lactam; organofluorine compound | anticholesteremic drug; antilipemic drug; antimetabolite |
morin-5'-sulfonic acid | [no description available] | medium | 1 | 0 | | |
methamphetamine | [no description available] | medium | 1 | 0 | amphetamines; secondary amine | central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic |
hydralazine | [no description available] | medium | 2 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
cortistatin 14 | [no description available] | medium | 1 | 0 | | |
pentoxifylline | [no description available] | medium | 1 | 0 | oxopurine | |
nitroarginine | [no description available] | medium | 3 | 0 | guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid | |
oxadiazoles | [no description available] | medium | 1 | 0 | | |
4-hydroxy-2-nonenal | [no description available] | medium | 4 | 0 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
s-adenosylethionine | [no description available] | medium | 1 | 1 | | |
trimethyllysine | [no description available] | medium | 2 | 1 | alpha-amino-acid cation | human metabolite; mouse metabolite |
vitamin b 12 | [no description available] | medium | 14 | 7 | | |
folic acid | [no description available] | medium | 24 | 10 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
ethionine | [no description available] | medium | 1 | 1 | S-ethylhomocysteine | antimetabolite; carcinogenic agent |
vitamin b 6 | [no description available] | medium | 7 | 3 | | |
pioglitazone | [no description available] | medium | 4 | 3 | aromatic ether; pyridines; thiazolidinediones | antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic |
glimepiride | [no description available] | medium | 1 | 1 | sulfonamide | |
lansoprazole | [no description available] | medium | 3 | 2 | benzimidazoles; pyridines; sulfoxide | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
s 1743 | [no description available] | medium | 1 | 0 | magnesium salt | anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor |
cyproterone acetate | [no description available] | medium | 5 | 2 | 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester | androgen antagonist; geroprotector; progestin |
ethinyl estradiol | [no description available] | medium | 5 | 2 | 17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound | xenoestrogen |
cyproterone acetate, ethinyl estradiol drug combination | [no description available] | medium | 1 | 0 | | |
sphingosine | [no description available] | medium | 2 | 0 | sphing-4-enine | human metabolite; mouse metabolite |
n-acetylsphingosine | [no description available] | medium | 1 | 0 | N-acylsphingosine | |
mycophenolic acid | [no description available] | medium | 2 | 0 | 2-benzofurans; gamma-lactone; monocarboxylic acid; phenols | anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic |
tacrolimus | [no description available] | medium | 4 | 0 | macrolide lactam | bacterial metabolite; immunosuppressive agent |
prednisone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
sodium nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt; inorganic sodium salt | fertilizer; NMR chemical shift reference compound |
peroxynitrous acid | [no description available] | medium | 9 | 0 | nitrogen oxoacid | |
pyrroles | [no description available] | medium | 8 | 5 | pyrrole; secondary amine | |
atorvastatin | [no description available] | medium | 11 | 5 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
fluorobenzenes | [no description available] | medium | 4 | 1 | monofluorobenzenes | NMR chemical shift reference compound |
phosphoserine | [no description available] | medium | 1 | 0 | non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative | human metabolite |
curcumin | [no description available] | medium | 1 | 0 | aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol | anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger |
transforming growth factor beta | [no description available] | medium | 7 | 0 | | |
ribavirin | [no description available] | medium | 2 | 0 | 1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide | anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor |
vildagliptin | [no description available] | medium | 1 | 1 | amino acid amide | |
adamantane | [no description available] | medium | 1 | 1 | adamantanes; polycyclic alkane | |
fibrinogen | [no description available] | medium | 6 | 2 | iditol | fungal metabolite |
gw 4064 | [no description available] | medium | 3 | 0 | stilbenoid | |
capsaicin | [no description available] | medium | 1 | 0 | capsaicinoid | non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker |
isoxazoles | [no description available] | medium | 3 | 0 | isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
eicosapentaenoic acid | [no description available] | medium | 3 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
fluorodeoxyglucose f18 | [no description available] | medium | 1 | 1 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
guanidine | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
s-adenosylhomocysteine | [no description available] | medium | 4 | 0 | adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide | cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite |
aliskiren | [no description available] | medium | 3 | 1 | monocarboxylic acid amide; monomethoxybenzene | antihypertensive agent |
fumarates | [no description available] | medium | 3 | 1 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
caffeine | [no description available] | medium | 1 | 0 | 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 |
alanine | [no description available] | medium | 1 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
11-dehydro-thromboxane b2 | [no description available] | medium | 3 | 1 | thromboxane | human metabolite |
thromboxane b2 | [no description available] | medium | 4 | 1 | thromboxanes B | human metabolite; mouse metabolite |
propargylglycine | [no description available] | medium | 1 | 0 | | |
avapro | [no description available] | medium | 2 | 0 | azaspiro compound; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
formestane | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid | antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor |
androstenedione | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
alpha-linolenic acid | [no description available] | medium | 2 | 1 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
desoxycorticosterone acetate | [no description available] | medium | 1 | 0 | corticosteroid hormone | |
topiramate | [no description available] | medium | 1 | 0 | cyclic ketal; ketohexose derivative; sulfamate ester | anticonvulsant; sodium channel blocker |
galactosamine | [no description available] | medium | 1 | 0 | D-galactosamine; primary amino compound | toxin |
oxymatrine | [no description available] | medium | 2 | 0 | | |
isoproterenol | [no description available] | medium | 2 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
6-sulfatoxymelatonin | [no description available] | medium | 1 | 0 | acetamides | |
oxyntomodulin | [no description available] | medium | 1 | 0 | | |
acetovanillone | [no description available] | medium | 5 | 0 | acetophenones; aromatic ketone; methyl ketone | antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite |
gliclazide | [no description available] | medium | 1 | 0 | | |
prostaglandin i3 | [no description available] | medium | 1 | 0 | prostanoid | |
alprostadil | [no description available] | medium | 2 | 1 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
cyclosporine | [no description available] | medium | 4 | 0 | | |
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 |
firefly luciferin | [no description available] | medium | 1 | 0 | 1,3-thiazolemonocarboxylic acid; benzothiazoles; imidothioate | luciferin |
sirolimus | [no description available] | medium | 3 | 0 | antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol | antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor |
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid | [no description available] | medium | 1 | 0 | dicarboxylic acid; furoic acid | human metabolite; uremic toxin |
fenofibrate | [no description available] | medium | 3 | 2 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
vardenafil dihydrochloride | [no description available] | medium | 1 | 1 | | |
papaverine | [no description available] | medium | 2 | 0 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
n(6)-carboxymethyllysine | [no description available] | medium | 2 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | antigen |
coenzyme q10 | [no description available] | medium | 2 | 1 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
ubiquinone | [no description available] | medium | 2 | 1 | | |
glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
ascorbic acid | [no description available] | medium | 8 | 2 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
d-alpha tocopherol | [no description available] | medium | 14 | 4 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
sphingosine 1-phosphate | [no description available] | medium | 1 | 0 | sphingoid 1-phosphate | mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent |
technetium tc 99m sestamibi | [no description available] | medium | 1 | 0 | | |
icariin | [no description available] | medium | 1 | 0 | flavonols; glycosyloxyflavone | antioxidant; bone density conservation agent; EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; phytoestrogen |
bradykinin | [no description available] | medium | 1 | 1 | oligopeptide | human blood serum metabolite; vasodilator agent |
ramipril | [no description available] | medium | 5 | 3 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
oleanolic acid | [no description available] | medium | 1 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
creatine | [no description available] | medium | 3 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
telmisartan | [no description available] | medium | 6 | 2 | benzimidazoles; biphenyls; carboxybiphenyl | angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic |
captopril | [no description available] | medium | 5 | 1 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
bardoxolone methyl | [no description available] | medium | 1 | 0 | cyclohexenones | |
hydrochlorothiazide | [no description available] | medium | 2 | 1 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
linagliptin | [no description available] | medium | 1 | 1 | aminopiperidine; quinazolines | EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent |
triiodothyronine | [no description available] | medium | 3 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
phenylalanine | [no description available] | medium | 3 | 1 | 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 |
pindolol | [no description available] | medium | 1 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
phenylephrine | [no description available] | medium | 7 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
cyanopindolol | [no description available] | medium | 1 | 0 | indoles | |
butoxamine | [no description available] | medium | 1 | 0 | | |
esmolol | [no description available] | medium | 3 | 0 | aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound | |
n-methylnicotinamide | [no description available] | medium | 1 | 0 | pyridinecarboxamide | metabolite |
calpain | [no description available] | medium | 1 | 0 | | |
epigallocatechin gallate | [no description available] | medium | 3 | 0 | flavans; gallate ester; polyphenol | antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite |
diallyl trisulfide | [no description available] | medium | 1 | 0 | organic trisulfide | anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent |
naproxen | [no description available] | medium | 1 | 0 | methoxynaphthalene; monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
atb-346 | [no description available] | medium | 1 | 0 | | |
simvastatin | [no description available] | medium | 13 | 6 | 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 |
omeprazole | [no description available] | medium | 1 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
suramin | [no description available] | medium | 1 | 0 | naphthalenesulfonic acid; phenylureas; secondary carboxamide | angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug |
glutamic acid | [no description available] | medium | 5 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
s-nitroso-n-acetylpenicillamine | [no description available] | medium | 6 | 0 | nitroso compound; nitrosothio compound | nitric oxide donor; vasodilator agent |
choline | [no description available] | medium | 2 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
adrenomedullin | [no description available] | medium | 2 | 0 | | |
sucrose | [no description available] | medium | 2 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
allantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione; ureas | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary |
hypochlorous acid | [no description available] | medium | 2 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
taurine | [no description available] | medium | 3 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
methacholine chloride | [no description available] | medium | 1 | 0 | quaternary ammonium salt | |
ibuprofen | [no description available] | medium | 1 | 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 |
ibuprofen arginine | [no description available] | medium | 1 | 0 | | |
3-aminoisobutyric acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; beta-amino acid | metabolite |
uracil | [no description available] | medium | 1 | 1 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
trelagliptin | [no description available] | medium | 1 | 1 | benzenes; nitrile | |
tanshinone | [no description available] | medium | 1 | 0 | abietane diterpenoid | anticoronaviral agent |
iloprost | [no description available] | medium | 3 | 1 | carbobicyclic compound; monocarboxylic acid; secondary alcohol | platelet aggregation inhibitor; vasodilator agent |
heme | [no description available] | medium | 1 | 0 | | |
nadp | [no description available] | medium | 2 | 0 | | |
sapropterin | [no description available] | medium | 11 | 0 | 5,6,7,8-tetrahydrobiopterin | coenzyme; cofactor; diagnostic agent; human metabolite |
carvedilol | [no description available] | medium | 2 | 1 | carbazoles; secondary alcohol; secondary amino compound | alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent |
epoetin alfa | [no description available] | medium | 2 | 0 | | |
trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
acrylonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
13-hydroxy-9,11-octadecadienoic acid | [no description available] | medium | 2 | 0 | octadecadienoic acid | |
noc 18 | [no description available] | medium | 1 | 0 | | |
colchicine | [no description available] | medium | 1 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
pravastatin | [no description available] | medium | 5 | 4 | 3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic) | anticholesteremic drug; environmental contaminant; metabolite; xenobiotic |
nitrous oxide | [no description available] | medium | 2 | 1 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
natriuretic peptide, c-type | [no description available] | medium | 1 | 0 | | |
fk 409 | [no description available] | medium | 1 | 0 | | |
kt 5823 | [no description available] | medium | 1 | 0 | gamma-lactam; hemiaminal; indolocarbazole; methyl ester; organic heterooctacyclic compound | EC 2.7.11.12 (cGMP-dependent protein kinase) inhibitor |
8-bromocyclic gmp | [no description available] | medium | 6 | 0 | 3',5'-cyclic purine nucleotide; organobromine compound | muscle relaxant; protein kinase G agonist |
quinapril | [no description available] | medium | 2 | 0 | dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
edetic acid | [no description available] | medium | 1 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
thapsigargin | [no description available] | medium | 1 | 0 | butyrate ester; organic heterotricyclic compound; sesquiterpene lactone | calcium channel blocker; EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor |
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole | [no description available] | medium | 1 | 0 | ether; imidazoles; monomethoxybenzene | TRP channel blocker |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 1 | 0 | tripeptide | |
lidocaine | [no description available] | medium | 1 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
thromboplastin | [no description available] | medium | 3 | 0 | | |
psyllium | [no description available] | medium | 1 | 0 | very long-chain fatty acid | |
8-iso-prostaglandin a2 | [no description available] | medium | 1 | 0 | prostanoid | |
propane | [no description available] | medium | 7 | 1 | alkane; gas molecular entity | food propellant |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | [no description available] | medium | 1 | 1 | chromanol; monocarboxylic acid; phenols | antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor |
n(omega)-hydroxyarginine | [no description available] | medium | 3 | 0 | amino acid zwitterion; N(5)-[(E)-amino(hydroxyimino)methyl]ornithine; N(5)-[(hydroxyamino)(imino)methyl]ornithine; N(5)-[(Z)-amino(hydroxyimino)methyl]ornithine; N(5)-[amino(hydroxyimino)methyl]-L-ornithine; N(5)-[amino(hydroxyimino)methyl]ornithine; N(omega)-hydroxy-L-arginine | |
ranolazine | [no description available] | medium | 1 | 1 | aromatic amide; monocarboxylic acid amide; monomethoxybenzene; N-alkylpiperazine; secondary alcohol | |
anandamide | [no description available] | medium | 1 | 0 | endocannabinoid; N-acylethanolamine 20:4 | human blood serum metabolite; neurotransmitter; vasodilator agent |
am 404 | [no description available] | medium | 1 | 0 | anilide | |
serine | [no description available] | medium | 1 | 0 | L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
buthionine sulfoximine | [no description available] | medium | 1 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
rosiglitazone | [no description available] | medium | 3 | 2 | aminopyridine; thiazolidinediones | EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug |
pitavastatin | [no description available] | medium | 2 | 2 | cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic) | antioxidant |
carbamazepine | [no description available] | medium | 3 | 0 | 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 |
5-methyltetrahydrofolate | [no description available] | medium | 1 | 1 | | |
thioctic acid | [no description available] | medium | 3 | 2 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
genistein | [no description available] | medium | 1 | 1 | 7-hydroxyisoflavones | antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor |
phytoestrogens | [no description available] | medium | 1 | 1 | | |
ethylene glycol | [no description available] | medium | 1 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
verapamil | [no description available] | medium | 1 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
beta carotene | [no description available] | medium | 1 | 1 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
1-methyl-4-phenylpyridinium | [no description available] | medium | 2 | 0 | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
3,4',5-trimethoxystilbene | [no description available] | medium | 1 | 0 | | |
zidovudine | [no description available] | medium | 1 | 0 | azide; pyrimidine 2',3'-dideoxyribonucleoside | antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor |
indinavir sulfate | [no description available] | medium | 1 | 0 | dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide | HIV protease inhibitor |
naloxone | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol | antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist |
morphine | [no description available] | medium | 1 | 0 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
candesartan | [no description available] | medium | 1 | 0 | benzimidazolecarboxylic acid; biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
monocrotaline | [no description available] | medium | 3 | 0 | pyrrolizidine alkaloid | |
3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
ovalbumin | [no description available] | medium | 1 | 0 | | |
hydroxyindoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
amoxicillin | [no description available] | medium | 1 | 1 | penicillin allergen; penicillin | antibacterial drug |
clarithromycin | [no description available] | medium | 1 | 1 | macrolide antibiotic | antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic |
metoprolol | [no description available] | medium | 1 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
3,4,5,6-tetrahydroxyxanthone | [no description available] | medium | 1 | 0 | | |
phenanthrenes | [no description available] | medium | 1 | 0 | | |
1-keto-1,2,3,4-tetrahydrophenanthrene | [no description available] | medium | 1 | 0 | | |
arachidonic acid | [no description available] | medium | 1 | 0 | icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid | Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite |
amyloid beta-peptides | [no description available] | medium | 1 | 0 | | |
tolafentrine | [no description available] | medium | 2 | 0 | | |
neferine | [no description available] | medium | 1 | 0 | | |
malealdehyde | [no description available] | medium | 1 | 0 | but-2-enedial | |
epoxomicin | [no description available] | medium | 1 | 0 | morpholines; tripeptide | proteasome inhibitor |
chloroquine | [no description available] | medium | 1 | 0 | aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound | anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug |
leupeptins | [no description available] | medium | 1 | 0 | | |
benzyloxycarbonylleucyl-leucyl-leucine aldehyde | [no description available] | medium | 1 | 0 | amino aldehyde; carbamate ester; tripeptide | proteasome inhibitor |
aconitic acid | [no description available] | medium | 1 | 0 | tricarboxylic acid | |
guanidinosuccinic acid | [no description available] | medium | 1 | 0 | L-alpha-amino acid anion | |
nicotine | [no description available] | medium | 4 | 1 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
indoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
4-cresol sulfate | [no description available] | medium | 1 | 0 | aryl sulfate | gut flora metabolite; human metabolite; uremic toxin |
aminooxyacetic acid | [no description available] | medium | 1 | 0 | amino acid; hydroxylamines; monocarboxylic acid | anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent |
cytochrome c-t | [no description available] | medium | 1 | 0 | | |
cyclin d1 | [no description available] | medium | 1 | 0 | | |
silybin | [no description available] | medium | 1 | 0 | | |
l-arginine alpha-ketoglutarate | [no description available] | medium | 1 | 1 | | |
cytochalasin d | [no description available] | medium | 1 | 0 | | |
jasplakinolide | [no description available] | medium | 1 | 0 | cyclodepsipeptide; phenols | actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent |
tram 34 | [no description available] | medium | 1 | 0 | organochlorine compound | |
ns 309 | [no description available] | medium | 1 | 0 | | |
fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
sb 203580 | [no description available] | medium | 3 | 0 | imidazoles; monofluorobenzenes; pyridines; sulfoxide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent |
t0156 | [no description available] | medium | 1 | 0 | naphthyridine derivative | |
carbonates | [no description available] | medium | 1 | 0 | carbon oxoanion | |
puromycin aminonucleoside | [no description available] | medium | 2 | 0 | 3'-deoxyribonucleoside; adenosines | |
ebselen | [no description available] | medium | 1 | 0 | benzoselenazole | anti-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 |
liraglutide | [no description available] | medium | 1 | 1 | lipopeptide; polypeptide | glucagon-like peptide-1 receptor agonist; neuroprotective agent |
prostaglandin f-main urinary metabolite | [no description available] | medium | 1 | 1 | | |
nisoldipine | [no description available] | medium | 1 | 1 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
olmesartan | [no description available] | medium | 1 | 1 | biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent |
iberiotoxin | [no description available] | medium | 1 | 0 | | |
acetylcarnitine | [no description available] | medium | 1 | 0 | O-acylcarnitine | human metabolite |
pyrogallol | [no description available] | medium | 1 | 0 | benzenetriol; phenolic donor | plant metabolite |
valine | [no description available] | medium | 9 | 5 | 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 |
sulfasalazine | [no description available] | medium | 1 | 0 | | |
glycerol | [no description available] | medium | 1 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
tocopherols | [no description available] | medium | 1 | 1 | | |
gamma-tocopherol | [no description available] | medium | 1 | 1 | tocopherol; vitamin E | algal metabolite; food antioxidant; plant metabolite |
bisoprolol | [no description available] | medium | 1 | 1 | secondary alcohol; secondary amine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent |
landiolol | [no description available] | medium | 1 | 1 | morpholines | |
n-acetylaspartic acid | [no description available] | medium | 1 | 0 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
aspartic acid | [no description available] | medium | 2 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
inositol | [no description available] | medium | 1 | 0 | cyclitol; hexol | |
carbon monoxide | [no description available] | medium | 1 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
pimagedine | [no description available] | high | 3 | 0 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
pimagedine | [no description available] | high | 3 | 1 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
oxcarbazepine | [no description available] | medium | 1 | 0 | cyclic ketone; dibenzoazepine | anticonvulsant; drug allergen |
digoxin | [no description available] | medium | 1 | 1 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
isosorbide dinitrate | [no description available] | medium | 2 | 1 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
isosorbide-5-mononitrate | [no description available] | medium | 1 | 1 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
formaldehyde | [no description available] | medium | 1 | 0 | aldehyde; one-carbon compound | allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cysteinylglycine | [no description available] | medium | 1 | 0 | dipeptide zwitterion; dipeptide | Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite |
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea | [no description available] | medium | 1 | 0 | aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas | antineoplastic agent; fibroblast growth factor receptor antagonist |
eprosartan | [no description available] | medium | 2 | 1 | dicarboxylic acid; imidazoles; thiophenes | angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic |
enalapril | [no description available] | medium | 5 | 4 | dicarboxylic acid monoester; dipeptide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug |
thiophenes | [no description available] | medium | 2 | 1 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
raloxifene hydrochloride | [no description available] | medium | 1 | 1 | hydrochloride | bone density conservation agent; estrogen antagonist; estrogen receptor modulator |
2,3-naphthalenedicarboxaldehyde | [no description available] | medium | 1 | 0 | | |
pyridoxine | [no description available] | medium | 3 | 2 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
homocystine | [no description available] | medium | 2 | 1 | amino acid zwitterion; homocystines | human metabolite |
trimegestone | [no description available] | medium | 1 | 1 | 20-oxo steroid | |
promegestone | [no description available] | medium | 1 | 1 | 20-oxo steroid; 3-oxo-Delta(4) steroid | antineoplastic agent; progesterone receptor agonist; progestin |
dydrogesterone | [no description available] | medium | 1 | 1 | 20-oxo steroid; 3-oxo-Delta(4) steroid | progestin |
lipid a | [no description available] | medium | 1 | 0 | dodecanoate ester; lipid A; tetradecanoate ester | Escherichia coli metabolite |
miconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
ethidium | [no description available] | medium | 2 | 0 | phenanthridines | fluorochrome; intercalator |
sepiapterin | [no description available] | medium | 2 | 0 | sepiapterin | |
7,8-dihydrobiopterin | [no description available] | medium | 2 | 0 | 7,8-dihydrobiopterin | |
pyridoxal phosphate | [no description available] | medium | 1 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
carbachol | [no description available] | medium | 2 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
zofenopril | [no description available] | medium | 1 | 1 | aryl sulfide; L-proline derivative; N-acyl-L-amino acid; thioester | anticonvulsant; apoptosis inhibitor; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug; vasodilator agent |
temocapril hydrochloride | [no description available] | medium | 2 | 0 | dipeptide | |
olmesartan medoxomil | [no description available] | medium | 1 | 0 | biphenyls | |
penicillamine | [no description available] | medium | 5 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
benidipine | [no description available] | medium | 1 | 0 | | |
s-nitro-n-acetylpenicillamine | [no description available] | medium | 3 | 0 | | |
dihydropyridines | [no description available] | medium | 1 | 0 | | |
4-chloro-7-nitrobenzofurazan | [no description available] | medium | 1 | 0 | benzoxadiazole; C-nitro compound; organochlorine compound | EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.6.1.3 (adenosinetriphosphatase) inhibitor; fluorescent probe; fluorochrome |
7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole | [no description available] | medium | 1 | 0 | | |
hypoxanthine | [no description available] | medium | 1 | 1 | nucleobase analogue; oxopurine; purine nucleobase | fundamental metabolite |
xanthine | [no description available] | medium | 1 | 1 | xanthine | Saccharomyces cerevisiae metabolite |
pyrrolidine dithiocarbamate | [no description available] | medium | 2 | 0 | dithiocarbamic acids; pyrrolidines | anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger |
o-phthalaldehyde | [no description available] | medium | 2 | 0 | benzaldehydes; dialdehyde | epitope |
caseins | [no description available] | medium | 1 | 0 | | |
diphenyliodonium | [no description available] | medium | 1 | 0 | | |
niacin | [no description available] | medium | 1 | 0 | pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3 | antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent |
alpha-cyano-4-hydroxycinnamate | [no description available] | medium | 1 | 0 | | |
sepharose | [no description available] | medium | 1 | 0 | | |
2-diethylaminoethanol | [no description available] | medium | 1 | 0 | ethanolamines; primary alcohol; tertiary amino compound | |
cotinine | [no description available] | medium | 3 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
4-butyrolactone | [no description available] | medium | 1 | 1 | butan-4-olide | metabolite; neurotoxin |
lignans | [no description available] | medium | 1 | 1 | | |
2,3-bis(3'-hydroxybenzyl)butyrolactone | [no description available] | medium | 1 | 1 | lignan | |
casein kinase ii | [no description available] | medium | 1 | 0 | | |
acetazolamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; sulfonamide; thiadiazoles | anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor |
amlodipine | [no description available] | medium | 3 | 1 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
dihydroethidium | [no description available] | medium | 1 | 0 | | |
calca protein, human | [no description available] | medium | 1 | 0 | | |
c-peptide | [no description available] | medium | 1 | 0 | | |
cortisone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | human metabolite; mouse metabolite |
puerarin | [no description available] | medium | 1 | 0 | C-glycosyl compound; isoflavonoid | |
nateglinide | [no description available] | medium | 1 | 1 | phenylalanine derivative | |
calcimycin | [no description available] | medium | 4 | 0 | benzoxazole | |
desogestrel | [no description available] | medium | 1 | 1 | 17beta-hydroxy steroid; terminal acetylenic compound | contraceptive drug; progestin; synthetic oral contraceptive |
salicylic acid | [no description available] | medium | 1 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
concanavalin a | [no description available] | medium | 1 | 0 | | |
alloxan | [no description available] | medium | 2 | 0 | pyrimidone | hyperglycemic agent; metabolite |
trandolapril | [no description available] | medium | 1 | 1 | dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug |
ninhydrin | [no description available] | medium | 1 | 0 | aromatic ketone; beta-diketone; indanones; ketone hydrate | colour indicator; human metabolite |
glyburide | [no description available] | medium | 1 | 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 |
glycogen | [no description available] | medium | 1 | 0 | | |
gw9662 | [no description available] | medium | 1 | 0 | benzamides | |
beta-escin | [no description available] | medium | 1 | 0 | | |
3-methylhistidine | [no description available] | medium | 1 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite; Saccharomyces cerevisiae metabolite |
fibrin | [no description available] | medium | 1 | 0 | peptide | |
methylguanidine | [no description available] | high | 1 | 0 | guanidines | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin |
methylguanidine | [no description available] | high | 1 | 1 | guanidines | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite; uremic toxin |
5-doxylstearate | [no description available] | medium | 1 | 0 | aminoxyls | |
estriol | [no description available] | medium | 1 | 0 | 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid | estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite |
myelin basic protein | [no description available] | medium | 1 | 0 | | |
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide | [no description available] | medium | 1 | 0 | aromatic ether; C-nitro compound; sulfonamide | antineoplastic agent; cyclooxygenase 2 inhibitor |
thiazoles | [no description available] | medium | 1 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
tretinoin | [no description available] | medium | 1 | 0 | retinoic acid; vitamin A | anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule |
n-(3-(aminomethyl)benzyl)acetamidine | [no description available] | low | 0 | 0 | aralkylamine; carboxamidine; primary amino compound | angiogenesis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector |
formamidine | [no description available] | low | 0 | 0 | carboxamidine; formamidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
zaluzanin C | [no description available] | low | 0 | 0 | gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
nitroflurbiprofen | [no description available] | low | 0 | 0 | biphenyls; carboxylic ester; nitrate ester; organofluorine compound | cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; geroprotector; non-steroidal anti-inflammatory drug; vasodilator agent |
yakuchinone-a | [no description available] | low | 0 | 0 | ketone; monomethoxybenzene; phenols | antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
ng-nitroarginine methyl ester | [no description available] | low | 0 | 0 | hydrochloride | EC 1.14.13.39 (nitric oxide synthase) inhibitor |
p-hydroxycinnamaldehyde | [no description available] | low | 0 | 0 | cinnamaldehydes | apoptosis inducer; EC 1.14.13.39 (nitric oxide synthase) inhibitor; plant metabolite |
propylthiouracil | [no description available] | low | 0 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
myricitrin | [no description available] | low | 0 | 0 | alpha-L-rhamnoside; glycosyloxyflavone; monosaccharide derivative; pentahydroxyflavone | anti-allergic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite |
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one | [no description available] | low | 0 | 0 | dihydroxyflavone; monomethoxyflavone | antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor |
bis(7)-tacrine | [no description available] | low | 0 | 0 | secondary amino compound | apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent |
dihydroxanthohumol | [no description available] | low | 0 | 0 | aromatic ether; dihydrochalcones; polyphenol | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
ainsliadimer a | [no description available] | low | 0 | 0 | sesquiterpene lactone; spiro compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite |
levodopa | [no description available] | low | 0 | 0 | amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug |
pyrrolidonecarboxylic acid | [no description available] | low | 0 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
diazooxonorleucine | [no description available] | low | 0 | 0 | amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid | analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist |
diiodotyrosine | [no description available] | low | 0 | 0 | diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite |
3-methoxytyrosine | [no description available] | low | 0 | 0 | aromatic L-alpha-amino acid zwitterion; L-tyrosine derivative; monomethoxybenzene; non-proteinogenic L-alpha-amino acid | human metabolite |
kainic acid | [no description available] | low | 0 | 0 | dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid | antinematodal drug; excitatory amino acid agonist |
norleucine | [no description available] | low | 0 | 0 | 2-aminohexanoic acid; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | |
phosphotyrosine | [no description available] | low | 0 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine | Escherichia coli metabolite; immunogen |
methyldopa | [no description available] | low | 0 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
homocitrulline | [no description available] | low | 0 | 0 | amino acid zwitterion; L-lysine derivative; non-proteinogenic L-alpha-amino acid; ureas | human metabolite; mouse metabolite |
cystine | [no description available] | low | 0 | 0 | cystine zwitterion; cystine; L-cysteine derivative; non-proteinogenic L-alpha-amino acid | EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
djenkolic acid | [no description available] | low | 0 | 0 | dithioacetal; L-cysteine derivative; non-proteinogenic L-alpha-amino acid | plant metabolite; toxin |
furanomycin | [no description available] | low | 0 | 0 | dihydrofuran; non-proteinogenic L-alpha-amino acid | antibacterial agent; antimicrobial agent; bacterial metabolite |
biocytin | [no description available] | low | 0 | 0 | azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas | mouse metabolite |
o-methylserine | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | metabolite |
methionine sulfoximine | [no description available] | low | 0 | 0 | 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 |
1-methylhistidine | [no description available] | low | 0 | 0 | L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion | human metabolite |
phospho-l-arginine | [no description available] | low | 0 | 0 | L-arginine derivative; non-proteinogenic L-alpha-amino acid; phosphagen; phosphoamino acid | animal metabolite |
albizziin | [no description available] | low | 0 | 0 | non-proteinogenic L-alpha-amino acid | |
s-2-aminoethyl cysteine | [no description available] | low | 0 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | EC 5.4.3.2 (lysine 2,3-aminomutase) inhibitor; metabolite; protein synthesis inhibitor |
beta-n-methylamino-l-alanine | [no description available] | low | 0 | 0 | diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound | bacterial metabolite; neurotoxin |
4-ketoproline | [no description available] | low | 0 | 0 | 4-oxoproline; amino acid zwitterion; L-proline derivative; non-proteinogenic L-alpha-amino acid | |
indospicine | [no description available] | low | 0 | 0 | carboxamidine; non-proteinogenic L-alpha-amino acid | hepatotoxic agent; plant metabolite |
coprine | [no description available] | low | 0 | 0 | cyclopropanes; dicarboxylic acid monoamide; L-glutamine derivative; non-proteinogenic L-alpha-amino acid | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite; mycotoxin |
3-chloro-L-tyrosine | [no description available] | low | 0 | 0 | chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid | biomarker; human metabolite |
tabtoxinine beta-lactam | [no description available] | low | 0 | 0 | beta-lactam antibiotic; monobactam; non-proteinogenic L-alpha-amino acid; tertiary alpha-hydroxy ketone | apoptosis inducer; bacterial metabolite; EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor |
pentosidine | [no description available] | low | 0 | 0 | imidazopyridine; non-proteinogenic L-alpha-amino acid | biomarker; cross-linking reagent |
mannopine | [no description available] | low | 0 | 0 | amino acid opine; dicarboxylic acid monoamide; hexitol derivative; L-glutamine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound | plant metabolite |
dansyllysine | [no description available] | low | 0 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid; sulfonamide | epitope |
deoxyhypusine | [no description available] | low | 0 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | human metabolite |
2-formyl-5-(hydroxymethyl)pyrrole-1-norleucine | [no description available] | low | 0 | 0 | L-lysine derivative; N-substituted pyrraline; non-proteinogenic L-alpha-amino acid | |
5-fluorowillardiine | [no description available] | low | 0 | 0 | L-alanine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound | AMPA receptor agonist |
4-fluorothreonine | [no description available] | low | 0 | 0 | amino acid zwitterion; fluoroamino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid | |
ovothiol a | [no description available] | low | 0 | 0 | aryl thiol; L-alpha-amino acid zwitterion; L-histidine derivative; non-proteinogenic L-alpha-amino acid | antioxidant; marine metabolite; radical scavenger |
selenomethylselenocysteine | [no description available] | low | 0 | 0 | amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine | antineoplastic agent |
beta-aspartyl phosphate | [no description available] | low | 0 | 0 | aminoacyl phosphate; L-aspartic acid derivative; non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite |
vinylglycine | [no description available] | low | 0 | 0 | glycine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor |
methyl-3-tyrosine | [no description available] | low | 0 | 0 | amino acid zwitterion; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | |
i-677 | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; antineoplastic agent; metabolite |
allysine | [no description available] | low | 0 | 0 | allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
kynurenine | [no description available] | low | 0 | 0 | amino acid zwitterion; kynurenine; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
n(5)-hydroxy-l-arginine | [no description available] | low | 0 | 0 | hydroxy-L-arginine; non-proteinogenic L-alpha-amino acid | |
felinine | [no description available] | low | 0 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid; S-alkyl-L-cysteine zwitterion | mammalian metabolite; pheromone |
serine o-sulfate | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid; O-sulfoamino acid | |
epsilon-n-methyllysine | [no description available] | low | 0 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | |
trifluoromethionine | [no description available] | low | 0 | 0 | L-methionine derivative; non-proteinogenic L-alpha-amino acid; organofluorine compound | |
cysteinesulfenic acid | [no description available] | low | 0 | 0 | L-cysteine derivative; non-proteinogenic L-alpha-amino acid | |
delta-n-methylarginine | [no description available] | low | 0 | 0 | guanidines; L-arginine derivative; non-proteinogenic L-alpha-amino acid | |
2-amino-4-phosphonobutyric acid | [no description available] | low | 0 | 0 | non-proteinogenic L-alpha-amino acid; phosphonic acids | metabotropic glutamate receptor agonist |
epsilon n-dimethyllysine | [no description available] | low | 0 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | |
hydroxythreonine | [no description available] | low | 0 | 0 | amino acid zwitterion; hydroxy-amino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite; Saccharomyces cerevisiae metabolite |
carbocysteine | [no description available] | low | 0 | 0 | L-cysteine thioether; non-proteinogenic L-alpha-amino acid | mucolytic |
acivicin | [no description available] | low | 0 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound | antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite |
canavanine | [no description available] | low | 0 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | phytogenic insecticide; plant metabolite |
5-hydroxytryptophan | [no description available] | low | 0 | 0 | 5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; plant metabolite |
agaritine | [no description available] | low | 0 | 0 | amino acid zwitterion; benzyl alcohols; carbohydrazide; L-glutamic acid derivative; non-proteinogenic L-alpha-amino acid | |
monoiodotyrosine | [no description available] | low | 0 | 0 | amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid | EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite |
n'-formylkynurenine | [no description available] | low | 0 | 0 | amino acid zwitterion; N-formylkynurenine; non-proteinogenic amino acid derivative; non-proteinogenic L-alpha-amino acid | human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
3,5-dichlorotyrosine | [no description available] | low | 0 | 0 | chloroamino acid; dichlorobenzene; dihalogenated L-tyrosine; non-proteinogenic L-alpha-amino acid | |
willardiine | [no description available] | low | 0 | 0 | amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid | |
mimosine | [no description available] | low | 0 | 0 | 4-pyridones; amino acid zwitterion; non-proteinogenic L-alpha-amino acid | EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite |
metyrosine | [no description available] | low | 0 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor |
canaline | [no description available] | low | 0 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite |
2,5-dihydrophenylalanine | [no description available] | low | 0 | 0 | non-proteinogenic L-alpha-amino acid | |
c(alpha)-formylglycine | [no description available] | low | 0 | 0 | 3-oxoalanine; amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid | Escherichia coli metabolite |
3,5-dihydroxyphenylglycine | [no description available] | low | 0 | 0 | amino acid zwitterion; non-proteinogenic L-alpha-amino acid; resorcinols | |
methionine sulfone | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-methionine derivative; methionine sulfone; non-proteinogenic L-alpha-amino acid | animal metabolite |
cefoxitin | [no description available] | low | 0 | 0 | L-serine derivative; non-proteinogenic L-alpha-amino acid | tumour antigen |
(S)-ATPA | [no description available] | low | 0 | 0 | isoxazoles; non-proteinogenic L-alpha-amino acid | metabolite |
azaserine | [no description available] | low | 0 | 0 | carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid | antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite |
melphalan | [no description available] | low | 0 | 0 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
4-fluorophenyl-L-alanine | [no description available] | low | 0 | 0 | 4-fluorophenylalanine; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid | |
o-methyl threonine | [no description available] | low | 0 | 0 | ether; L-threonine derivative; non-proteinogenic L-alpha-amino acid | antibacterial agent; bleaching agent |
n(6)-(1-iminoethyl)lysine | [no description available] | low | 0 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | |
glycerophosphoserine | [no description available] | low | 0 | 0 | glycerol 1-phosphodiester; L-serine derivative; non-proteinogenic L-alpha-amino acid | |
7-chlorotryptophan | [no description available] | low | 0 | 0 | 7-chlorotryptophan; amino acid zwitterion; L-tryptophan derivative; non-proteinogenic L-alpha-amino acid | |
phosphothreonine | [no description available] | low | 0 | 0 | L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid | Escherichia coli metabolite |
leukotriene e4 | [no description available] | low | 0 | 0 | amino dicarboxylic acid; L-cysteine thioether; leukotriene; non-proteinogenic L-alpha-amino acid; secondary alcohol | |
domoic acid | [no description available] | low | 0 | 0 | L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid; tricarboxylic acid | algal metabolite; hapten; marine metabolite; neuromuscular agent; neurotoxin |
4-chlorothreonine | [no description available] | low | 0 | 0 | chloroamino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid | |
cilastatin | [no description available] | low | 0 | 0 | carboxamide; L-cysteine derivative; non-proteinogenic L-alpha-amino acid; organic sulfide | EC 3.4.13.19 (membrane dipeptidase) inhibitor; environmental contaminant; protease inhibitor; xenobiotic |
3-tyrosine | [no description available] | low | 0 | 0 | hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols | plant metabolite |
(S)-2-amino-6-boronohexanoic acid | [no description available] | low | 0 | 0 | non-proteinogenic L-alpha-amino acid; organoboron compound | |
6-bromotryptophan | [no description available] | low | 0 | 0 | aromatic L-alpha-amino acid zwitterion; bromoamino acid; bromoindole; L-alpha-amino acid zwitterion; L-tryptophan derivative; non-proteinogenic L-alpha-amino acid | |
6-chlorotryptophan | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-tryptophan derivative; non-proteinogenic L-alpha-amino acid; organochlorine compound | |
anticapsin | [no description available] | low | 0 | 0 | alicyclic ketone; epoxide; L-alanine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid | antimetabolite; antimicrobial agent; bacterial metabolite; EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor |
n(6)-(1-carboxyethyl)lysine | [no description available] | low | 0 | 0 | L-lysine derivative; non-proteinogenic L-alpha-amino acid | |
lysine tyrosylquinone | [no description available] | low | 0 | 0 | 1,2-benzoquinones; L-lysine derivative; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | |
gamma-guanidinobutyric acid | [no description available] | low | 0 | 0 | guanidines; monocarboxylic acid; zwitterion | fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
5-(n,n-hexamethylene)amiloride | [no description available] | low | 0 | 0 | aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines | antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker |
ethylisopropylamiloride | [no description available] | low | 0 | 0 | aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound | anti-arrhythmia drug; neuroprotective agent; sodium channel blocker |
apraclonidine | [no description available] | low | 0 | 0 | dichlorobenzene; guanidines; imidazolines | alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug |
arcaine | [no description available] | low | 0 | 0 | guanidines | |
bethanidine | [no description available] | low | 0 | 0 | guanidines | adrenergic antagonist; antihypertensive agent |
camostat | [no description available] | low | 0 | 0 | benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide | anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor |
cimetidine | [no description available] | low | 0 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
epinastine | [no description available] | low | 0 | 0 | benzazepine; guanidines | anti-allergic agent; H1-receptor antagonist; histamine antagonist; ophthalmology drug |
famotidine | [no description available] | low | 0 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
guanethidine | [no description available] | low | 0 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
guazatine | [no description available] | low | 0 | 0 | aliphatic nitrogen antifungal agent; guanidines; secondary amino compound | antifungal agrochemical |
nafamostat | [no description available] | low | 0 | 0 | benzoic acids; guanidines | |
(n-(p-cyanophenyl)-n'-(diphenylmethyl)guanidine)acetic acid | [no description available] | low | 0 | 0 | glycine derivative; guanidines | epitope; sweetening agent |
phenyl biguanide | [no description available] | low | 0 | 0 | guanidines | central nervous system drug |
biguanides | [no description available] | low | 0 | 0 | guanidines | |
diphenylguanidine | [no description available] | low | 0 | 0 | guanidines | allergen |
dicyandiamido | [no description available] | low | 0 | 0 | guanidines; nitrile | curing agent; explosive; fertilizer; flame retardant; nitrification inhibitor |
galegine | [no description available] | low | 0 | 0 | guanidines | |
amiloride | [no description available] | low | 0 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
guanazodine | [no description available] | low | 0 | 0 | guanidines | |
guanadrel | [no description available] | low | 0 | 0 | guanidines; spiroketal | adrenergic antagonist; antihypertensive agent |
zanamivir | [no description available] | low | 0 | 0 | guanidines | antiviral agent; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
propamidine | [no description available] | low | 0 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
hexamidine | [no description available] | low | 0 | 0 | aromatic ether; guanidines; polyether | antimicrobial agent; antiseptic drug |
synthalin a | [no description available] | low | 0 | 0 | guanidines | hepatotoxic agent; hypoglycemic agent; nephrotoxin |
guanidinopropionic acid | [no description available] | low | 0 | 0 | guanidines; zwitterion | hypoglycemic agent |
guanidinoethane sulfonate | [no description available] | low | 0 | 0 | guanidines; organosulfonic acid; zwitterion | |
hydroxyguanidine | [no description available] | low | 0 | 0 | guanidines; one-carbon compound | antineoplastic agent; antiviral agent |
nopaline | [no description available] | low | 0 | 0 | amino acid opine; D-glutamic acid derivative; guanidines; L-arginine derivative; secondary amino compound; tricarboxylic acid | |
benzamil | [no description available] | low | 0 | 0 | guanidines; pyrazines | |
octopine | [no description available] | low | 0 | 0 | amino acid opine; amino dicarboxylic acid; D-alpha-amino acid zwitterion; D-arginine derivative; guanidines; secondary amino compound | animal metabolite; xenobiotic metabolite |
3',4'-dichlorobenzamil | [no description available] | low | 0 | 0 | guanidines; pyrazines | |
acetylphenylalanyl-prolyl-boroarginine | [no description available] | low | 0 | 0 | acetamides; C-terminal boronic acid peptide; guanidines | anticoagulant; EC 3.4.21.5 (thrombin) inhibitor |
e 64 | [no description available] | low | 0 | 0 | dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion | antimalarial; antiparasitic agent; protease inhibitor |
argininehydroxamic acid | [no description available] | low | 0 | 0 | guanidines; hydroxamic acid; L-arginine derivative | |
bcx 1812 | [no description available] | low | 0 | 0 | 3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor |
4-guanidinobenzoate | [no description available] | low | 0 | 0 | benzoic acids; guanidines | |
aminopotentidine | [no description available] | low | 0 | 0 | aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline | H2-receptor antagonist |
argininamide | [no description available] | low | 0 | 0 | amino acid amide; guanidines; L-arginine derivative | |
n(1)-guanyl-1,7-diaminoheptane | [no description available] | low | 0 | 0 | guanidines; primary amino compound | antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor |
tosylarginine methyl ester | [no description available] | low | 0 | 0 | guanidines; L-arginine ester; methyl ester; sulfonamide | |
N(2)-carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxyfuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide | [no description available] | low | 0 | 0 | D-leucine derivative; dichlorobenzene; furoic acid; glycine derivative; guanidines; pyrazolylpiperidine | |
l803087 | [no description available] | low | 0 | 0 | benzenes; fluoroindole; guanidines; L-arginine derivative; methyl ester; phenylindole; secondary carboxamide | somatostatin receptor agonist |
mitoguazone | [no description available] | low | 0 | 0 | guanidines; hydrazone | antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor |
gabexate methanesulfonate | [no description available] | low | 0 | 0 | benzoate ester; guanidines; methanesulfonate salt | |
betrixaban | [no description available] | low | 0 | 0 | benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide | anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor |
massadine | [no description available] | low | 0 | 0 | alkaloid; guanidines; organobromine compound; pyrrolecarboxamide | animal metabolite; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; marine metabolite |
batzelladine a | [no description available] | low | 0 | 0 | alkaloid; carboxylic ester; guanidines; organic heterotricyclic compound; pyrrolopyrimidine; triazaacenaphthylene | anti-HIV-1 agent; metabolite |
vanchrobactin | [no description available] | low | 0 | 0 | catechols; dipeptide; guanidines; monocarboxylic acid; primary alcohol; triol | bacterial metabolite; marine metabolite; siderophore |
decarbamylsaxitoxin | [no description available] | low | 0 | 0 | alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine | bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic |
dibromophakellin | [no description available] | low | 0 | 0 | alkaloid; guanidines; organobromine compound | alpha-adrenergic agonist; animal metabolite; marine metabolite |
guanidinohydantoin | [no description available] | low | 0 | 0 | guanidines; imidazolidine-2,4-dione | |
hordatine a | [no description available] | low | 0 | 0 | aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols | adrenergic antagonist; metabolite |
crambescidin 800 | [no description available] | low | 0 | 0 | alkaloid; carboxylic ester; guanidines; monocarboxylic acid amide; organic heteropentacyclic compound; primary amino compound; secondary alcohol; spiro compound | anti-HIV-1 agent; anti-HSV-1 agent; antimalarial; marine metabolite |
saxitoxin | [no description available] | low | 0 | 0 | alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine | cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin |
callipeltin a | [no description available] | low | 0 | 0 | cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols | anti-HIV-1 agent; antifungal agent; metabolite |
phleomycin d1 | [no description available] | low | 0 | 0 | bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite |
phenylamil | [no description available] | low | 0 | 0 | guanidines; pyrazines | |
tegaserod | [no description available] | low | 0 | 0 | carboxamidine; guanidines; hydrazines; indoles | gastrointestinal drug; serotonergic agonist |
arginine beta-naphthylamide | [no description available] | low | 0 | 0 | amino acid amide; L-arginine derivative; N-(2-naphthyl)carboxamide | chromogenic compound |
argpyrimidine | [no description available] | low | 0 | 0 | hydroxypyrimidine; L-arginine derivative; non-proteinogenic alpha-amino acid | epitope |
EG00229 | [no description available] | low | 0 | 0 | benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes | angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist |
adp-ribosylarginine | [no description available] | low | 0 | 0 | L-arginine derivative | EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |