Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
durapatite | [no description available] | medium | 6 | 2 | | |
cellulose | [no description available] | medium | 2 | 0 | glycoside | |
ascorbic acid | [no description available] | medium | 20 | 2 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
cabergoline | [no description available] | medium | 2 | 1 | N-acylurea | antineoplastic agent; antiparkinson drug; dopamine agonist |
hydrofluoric acid | [no description available] | medium | 98 | 0 | hydrogen halide; mononuclear parent hydride | NMR chemical shift reference compound |
mephentermine | [no description available] | medium | 1 | 1 | amphetamines | |
phenylephrine | [no description available] | medium | 2 | 1 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
magnesium sulfate | [no description available] | medium | 40 | 5 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
potassium chloride | [no description available] | medium | 15 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
mercury | [no description available] | medium | 1 | 0 | elemental mercury; zinc group element atom | neurotoxin |
exenatide | [no description available] | medium | 1 | 0 | | |
carboxypolymethylene | [no description available] | medium | 1 | 0 | | |
lidocaine | [no description available] | medium | 6 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
fluorides | [no description available] | medium | 5 | 0 | halide anion; monoatomic fluorine | |
vitamin b 12 | [no description available] | medium | 3 | 0 | | |
lysine | [no description available] | medium | 1 | 0 | aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid | algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
cholecalciferol | [no description available] | medium | 14 | 1 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
sodium bicarbonate | [no description available] | medium | 27 | 2 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
chlorine | [no description available] | medium | 7 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
deoxyglucose | [no description available] | medium | 2 | 0 | | |
3,4,6-tri-o-acetylglucal | [no description available] | medium | 1 | 0 | | |
d-glucal | [no description available] | medium | 1 | 0 | | |
nifedipine | [no description available] | medium | 8 | 1 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
cimetidine | [no description available] | medium | 2 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
glycosides | [no description available] | medium | 9 | 0 | | |
mizolastine | [no description available] | medium | 1 | 1 | benzimidazoles | |
gastrins | [no description available] | medium | 12 | 1 | | |
lead | [no description available] | medium | 2 | 1 | carbon group element atom; elemental lead; metal atom | neurotoxin |
morphine | [no description available] | medium | 4 | 1 | morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound | anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic |
lisinopril | [no description available] | medium | 2 | 0 | dipeptide | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
hydrochlorothiazide | [no description available] | medium | 2 | 0 | benzothiadiazine; organochlorine compound; sulfonamide | antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
hydrochlorothiazide, lisinopril drug combination | [no description available] | medium | 1 | 0 | | |
glucagon | [no description available] | medium | 11 | 0 | peptide hormone | |
albuterol | [no description available] | medium | 8 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
theophylline | [no description available] | medium | 7 | 0 | dimethylxanthine | adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent |
sodium thiosulfate | [no description available] | medium | 3 | 0 | inorganic sodium salt | antidote to cyanide poisoning; antifungal drug; nephroprotective agent |
thiosulfates | [no description available] | medium | 3 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
dibenzofuran | [no description available] | medium | 1 | 0 | dibenzofurans; mancude organic heterotricyclic parent; polycyclic heteroarene | xenobiotic |
benzofurans | [no description available] | medium | 1 | 0 | | |
metoprolol | [no description available] | medium | 3 | 0 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
triazoles | [no description available] | medium | 1 | 0 | 1,2,3-triazole | |
neostigmine | [no description available] | medium | 3 | 1 | quaternary ammonium ion | antidote to curare poisoning; EC 3.1.1.7 (acetylcholinesterase) inhibitor |
citric acid, anhydrous | [no description available] | medium | 23 | 5 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
limestone | [no description available] | medium | 31 | 4 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
manganese | [no description available] | medium | 4 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
cysteine | [no description available] | medium | 10 | 2 | cysteinium | fundamental metabolite |
pentagastrin | [no description available] | medium | 13 | 0 | organic molecular entity | |
vitamin d 2 | [no description available] | medium | 12 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
propafenone | [no description available] | medium | 1 | 0 | aromatic ketone; secondary alcohol; secondary amino compound | anti-arrhythmia drug |
calcium lactate | [no description available] | medium | 14 | 2 | | |
calcium citrate | [no description available] | medium | 5 | 0 | organic calcium salt | flavouring agent; food additive; food preservative; nutraceutical |
fluoroacetamide | [no description available] | medium | 1 | 0 | 2-fluoroacetamides | |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
lithium | [no description available] | medium | 1 | 0 | alkali metal atom | |
caseins | [no description available] | medium | 6 | 1 | | |
lactobionic acid | [no description available] | medium | 2 | 0 | disaccharide | antioxidant |
amiodarone | [no description available] | medium | 4 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
oxytocin | [no description available] | medium | 4 | 0 | heterodetic cyclic peptide; peptide hormone | oxytocic; vasodilator agent |
misoprostol | [no description available] | medium | 2 | 0 | | |
amlodipine | [no description available] | medium | 2 | 0 | dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound | antihypertensive agent; calcium channel blocker; vasodilator agent |
potassium phosphate | [no description available] | medium | 7 | 1 | inorganic phosphate salt; inorganic potassium salt | |
phosphoric acid, trisodium salt | [no description available] | medium | 16 | 0 | sodium phosphate | |
bilirubin | [no description available] | medium | 2 | 1 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
copper gluconate | [no description available] | medium | 158 | 7 | organic molecular entity | |
gluconic acid | [no description available] | medium | 12 | 0 | gluconic acid | chelator; Penicillium metabolite |
glucoheptonate | [no description available] | medium | 2 | 0 | carbohydrate acid; monocarboxylic acid | metabolite |
aluminum | [no description available] | medium | 12 | 0 | boron group element atom; elemental aluminium; metal atom | |
alpha-glycerophosphoric acid | [no description available] | medium | 4 | 0 | glycerol monophosphate | algal metabolite; human metabolite |
triamcinolone acetonide | [no description available] | medium | 2 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone | anti-allergic agent; anti-inflammatory drug |
hyaluronoglucosaminidase | [no description available] | medium | 3 | 0 | | |
calcitriol | [no description available] | medium | 26 | 1 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
calcitriol | [no description available] | medium | 26 | 2 | D3 vitamins; hydroxycalciol; triol | antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical |
3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
butyric acid | [no description available] | medium | 1 | 0 | fatty acid 4:0; straight-chain saturated fatty acid | human urinary metabolite; Mycoplasma genitalium metabolite |
aspartic acid | [no description available] | medium | 1 | 0 | aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; mouse metabolite; neurotransmitter |
furosemide | [no description available] | medium | 10 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
midazolam | [no description available] | medium | 1 | 0 | imidazobenzodiazepine; monofluorobenzenes; organochlorine compound | anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative |
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 |
cardiovascular agents | [no description available] | medium | 1 | 0 | | |
indoline | [no description available] | medium | 1 | 0 | indoles | |
1,2,3,4-tetrahydroquinoline | [no description available] | medium | 1 | 0 | quinolines | |
artesunic acid | [no description available] | medium | 1 | 0 | | |
folic acid | [no description available] | medium | 22 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
s-adenosylmethionine | [no description available] | medium | 1 | 0 | organic cation; sulfonium compound | coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
digoxin | [no description available] | medium | 4 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
deoxypyridinoline | [no description available] | medium | 1 | 1 | | |
phosphorus | [no description available] | medium | 32 | 6 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
epiglucan | [no description available] | medium | 3 | 1 | | |
fibrin | [no description available] | medium | 1 | 0 | peptide | |
glucagon-like peptide 1 | [no description available] | medium | 1 | 0 | | |
levofloxacin | [no description available] | medium | 1 | 0 | 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic | antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
prednisone | [no description available] | medium | 3 | 1 | 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 |
bromodeoxyuridine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent |
fluorouracil | [no description available] | medium | 6 | 3 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
levoleucovorin | [no description available] | medium | 5 | 3 | 5-formyltetrahydrofolic acid | antineoplastic agent; metabolite |
phenyl acetate | [no description available] | medium | 12 | 1 | benzenes; phenyl acetates | |
silver acetate | [no description available] | medium | 1 | 0 | | |
oxepins | [no description available] | medium | 1 | 0 | | |
epidermal growth factor | [no description available] | medium | 2 | 0 | | |
sodium carbonate | [no description available] | medium | 2 | 0 | carbonate salt; organic sodium salt | |
aspirin | [no description available] | medium | 2 | 0 | benzoic acids; phenyl acetates; salicylates | anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent |
nitroglycerin | [no description available] | medium | 2 | 0 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
carbonates | [no description available] | medium | 3 | 0 | carbon oxoanion | |
tramadol | [no description available] | medium | 1 | 0 | 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol | adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor |
gabapentin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic |
gamma-aminobutyric acid | [no description available] | medium | 3 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
mexiletine | [no description available] | medium | 1 | 0 | aromatic ether; primary amino compound | anti-arrhythmia drug |
milnacipran | [no description available] | medium | 1 | 0 | acetamides | |
ramipril | [no description available] | medium | 1 | 0 | azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester | bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug |
dihydrotachysterol | [no description available] | medium | 4 | 0 | | |
carnitine | [no description available] | medium | 1 | 0 | amino-acid betaine | human metabolite; mouse metabolite |
glucuronic acid | [no description available] | medium | 11 | 1 | D-glucuronic acid | algal metabolite |
carbamic acid | [no description available] | medium | 1 | 0 | carbon oxoacid; one-carbon compound; organonitrogen compound | Escherichia coli metabolite |
carbamates | [no description available] | medium | 4 | 0 | amino-acid anion | |
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 |
cetirizine | [no description available] | medium | 1 | 0 | ether; monocarboxylic acid; monochlorobenzenes; piperazines | anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic |
ketotifen | [no description available] | medium | 1 | 0 | cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound | anti-asthmatic drug; H1-receptor antagonist |
c-peptide | [no description available] | medium | 5 | 0 | | |
pamidronate | [no description available] | medium | 2 | 0 | phosphonoacetic acid | |
prednisolone | [no description available] | medium | 5 | 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 |
cyclosporine | [no description available] | medium | 1 | 0 | | |
cinacalcet | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; naphthalenes; secondary amino compound | calcimimetic; P450 inhibitor |
oxyntomodulin | [no description available] | medium | 1 | 0 | | |
sodium fluoride | [no description available] | medium | 9 | 1 | fluoride salt | mutagen |
sulfuric acid | [no description available] | medium | 2 | 0 | sulfur oxoacid | catalyst |
ivabradine | [no description available] | medium | 1 | 0 | aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound | cardiotonic drug |
loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
losartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole; imidazoles | angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist |
spironolactone | [no description available] | medium | 3 | 0 | 3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester | aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic |
omeprazole | [no description available] | medium | 2 | 0 | aromatic ether; benzimidazoles; pyridines; sulfoxide | |
glycine | [no description available] | medium | 2 | 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 |
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 |
ammonium fluoride | [no description available] | medium | 1 | 0 | ammonium salt; fluoride salt | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 2 | 0 | pyrrolidin-2-ones | |
timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
fludrocortisone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid | adrenergic agent; anti-inflammatory drug |
metformin | [no description available] | medium | 1 | 0 | guanidines | environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic |
tri-o-cresyl phosphate | [no description available] | medium | 4 | 0 | | |
phenylmethylsulfonyl fluoride | [no description available] | medium | 1 | 0 | acyl fluoride | serine proteinase inhibitor |
furaldehyde | [no description available] | medium | 1 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
5-hydroxymethylfurfural | [no description available] | medium | 1 | 0 | arenecarbaldehyde; furans; primary alcohol | indicator; Maillard reaction product |
boranes | [no description available] | medium | 1 | 0 | boranes; mononuclear parent hydride | |
boron trifluoride | [no description available] | medium | 1 | 0 | boron fluoride | NMR chemical shift reference compound |
fluoroboric acid | [no description available] | medium | 1 | 0 | boron fluoride | |
miconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; ether; imidazoles | |
ketoconazole | [no description available] | medium | 1 | 0 | dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine | |
ammonium acetate | [no description available] | medium | 1 | 0 | acetate salt; ammonium salt | buffer; food acidity regulator |
itraconazole | [no description available] | medium | 1 | 0 | aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor |
phosphoric acid | [no description available] | medium | 2 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
propylene glycol | [no description available] | medium | 1 | 0 | glycol; propane-1,2-diols | allergen; human xenobiotic metabolite; mouse metabolite; protic solvent |
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 |
thallium | [no description available] | medium | 1 | 0 | boron group element atom | |
ferric ferrocyanide | [no description available] | medium | 1 | 0 | | |
ethylene glycol | [no description available] | medium | 3 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
fomepizole | [no description available] | medium | 1 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
physostigmine | [no description available] | medium | 1 | 0 | carbamate ester; indole alkaloid | antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic |
galactal | [no description available] | medium | 3 | 0 | anhydrohexose; glycal | |
halichondrin b | [no description available] | medium | 1 | 0 | furopyran | |
galactose | [no description available] | medium | 3 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
pantothenic acid | [no description available] | medium | 2 | 1 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
mannose | [no description available] | medium | 1 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
mannosamine | [no description available] | medium | 1 | 0 | D-mannosamine | |
oxazolidin-2-one | [no description available] | medium | 1 | 0 | carbamate ester; oxazolidinone | metabolite |
ro13-9904 | [no description available] | medium | 2 | 0 | | |
butylscopolammonium bromide | [no description available] | medium | 1 | 1 | | |
papaverine | [no description available] | medium | 3 | 1 | benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines | antispasmodic drug; vasodilator agent |
drotaverin | [no description available] | medium | 1 | 1 | isoquinolines | |
nps-568 | [no description available] | medium | 2 | 0 | | |
zithromax | [no description available] | medium | 1 | 0 | macrolide antibiotic | antibacterial drug; environmental contaminant; xenobiotic |
acid citrate dextrose | [no description available] | medium | 4 | 0 | | |
citrate phosphate dextrose | [no description available] | medium | 2 | 1 | | |
heparitin sulfate | [no description available] | medium | 1 | 0 | | |
nimodipine | [no description available] | medium | 4 | 0 | 2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester | antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent |
methylnitronitrosoguanidine | [no description available] | medium | 1 | 0 | nitroso compound | alkylating agent |
gs 4071 | [no description available] | medium | 1 | 0 | acetate ester; amino acid; cyclohexenecarboxylic acid; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; marine xenobiotic metabolite |
oseltamivir | [no description available] | medium | 1 | 0 | acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound | antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic |
zinc sulfate | [no description available] | medium | 2 | 0 | metal sulfate; zinc molecular entity | fertilizer |
sorbitol | [no description available] | medium | 2 | 0 | glucitol | cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent |
D-fructopyranose | [no description available] | medium | 1 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
dantrolene | [no description available] | medium | 1 | 0 | hydrazone; imidazolidine-2,4-dione | muscle relaxant; neuroprotective agent; ryanodine receptor antagonist |
2,4-dinitrophenol | [no description available] | medium | 1 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
acrylamide | [no description available] | medium | 1 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
diltiazem | [no description available] | medium | 4 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent; calcium channel blocker; vasodilator agent |
calcitonin | [no description available] | medium | 1 | 0 | | |
lu 135252 | [no description available] | medium | 1 | 0 | | |
eplerenone | [no description available] | medium | 1 | 0 | 3-oxo-Delta(4) steroid; epoxy steroid; gamma-lactone; methyl ester; organic heteropentacyclic compound; oxaspiro compound; steroid acid ester | aldosterone antagonist; antihypertensive agent |
endothelin-1 | [no description available] | medium | 2 | 0 | | |
aldosterone | [no description available] | medium | 4 | 1 | 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 |
calcium bicarbonate | [no description available] | medium | 1 | 0 | | |
hydrogen carbonate | [no description available] | medium | 22 | 1 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
aluminum phosphide | [no description available] | medium | 1 | 0 | | |
methylene blue | [no description available] | medium | 1 | 0 | organic chloride salt | acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer |
quinine | [no description available] | medium | 2 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
capecitabine | [no description available] | medium | 1 | 1 | carbamate ester; cytidines; organofluorine compound | antimetabolite; antineoplastic agent; prodrug |
deoxycytidine | [no description available] | medium | 2 | 1 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
mocetinostat | [no description available] | medium | 1 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
indomethacin | [no description available] | medium | 6 | 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 |
malondialdehyde | [no description available] | medium | 1 | 0 | dialdehyde | biomarker |
iodine | [no description available] | medium | 1 | 0 | diatomic iodine | nutrient |
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 |
triiodothyronine | [no description available] | medium | 1 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
sodium acetate, anhydrous | [no description available] | medium | 1 | 0 | organic sodium salt | NMR chemical shift reference compound |
isoflurane | [no description available] | medium | 2 | 0 | organofluorine compound | inhalation anaesthetic |
verapamil | [no description available] | medium | 27 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
succinylcholine | [no description available] | medium | 3 | 0 | quaternary ammonium ion; succinate ester | drug allergen; muscle relaxant; neuromuscular agent |
rhodium | [no description available] | medium | 2 | 0 | cobalt group element atom | |
potassium carbonate | [no description available] | medium | 1 | 0 | carbonate salt; potassium salt | catalyst; fertilizer; flame retardant |
olmesartan | [no description available] | medium | 1 | 0 | biphenylyltetrazole | angiotensin receptor antagonist; antihypertensive agent |
1,2-bis(2-aminophenoxy)ethane n,n,n',n'-tetraacetic acid acetoxymethyl ester | [no description available] | medium | 1 | 0 | | |
egtazic acid | [no description available] | medium | 5 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
oxalic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
sodium lactate | [no description available] | medium | 1 | 0 | lactate salt; organic sodium salt | food acidity regulator; food preservative |
phenylalanine | [no description available] | medium | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
ornithine | [no description available] | medium | 1 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
calca protein, human | [no description available] | medium | 1 | 1 | | |
transforming growth factor beta | [no description available] | medium | 1 | 0 | | |
methamidophos | [no description available] | medium | 1 | 0 | organic thiophosphate; organothiophosphate insecticide; phosphoramide | acaricide; agrochemical; avicide |
calpain | [no description available] | medium | 1 | 0 | | |
technetium tc 99m medronate | [no description available] | medium | 3 | 0 | | |
ethylene oxide | [no description available] | medium | 1 | 0 | gas molecular entity; oxacycle; saturated organic heteromonocyclic parent | allergen; mouse metabolite; mutagen |
pyridoxine | [no description available] | medium | 3 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
hydroxocobalamin | [no description available] | medium | 1 | 0 | | |
dexpanthenol | [no description available] | medium | 1 | 0 | amino alcohol; monocarboxylic acid amide | cholinergic drug; provitamin |
nelfinavir | [no description available] | medium | 1 | 1 | aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound | antineoplastic agent; HIV protease inhibitor |
glucose, (beta-d)-isomer | [no description available] | medium | 2 | 0 | D-glucopyranose | epitope; mouse metabolite |
iohexol | [no description available] | medium | 1 | 0 | benzenedicarboxamide; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
leptophos | [no description available] | medium | 1 | 0 | bromobenzenes; dichlorobenzene; organic phosphonate; phosphonic ester | |
dinoprostone | [no description available] | medium | 3 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
aminophylline | [no description available] | medium | 5 | 0 | mixture | bronchodilator agent; cardiotonic drug |
cholecystokinin | [no description available] | medium | 1 | 0 | | |
d-alpha tocopherol | [no description available] | medium | 8 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
arsenic | [no description available] | medium | 1 | 0 | metalloid atom; pnictogen | micronutrient |
phenothiazine | [no description available] | medium | 1 | 0 | phenothiazine | ferroptosis inhibitor; plant metabolite; radical scavenger |
pyrilamine | [no description available] | medium | 1 | 0 | aromatic ether; ethylenediamine derivative | H1-receptor antagonist |
cortisone | [no description available] | medium | 2 | 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 |
promethazine | [no description available] | medium | 1 | 0 | phenothiazines; tertiary amine | anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative |
chlorpromazine | [no description available] | medium | 1 | 0 | organochlorine compound; phenothiazines; tertiary amine | anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug |
cyanides | [no description available] | medium | 2 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
arginine | [no description available] | medium | 1 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
salicylic acid | [no description available] | medium | 2 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
theobromine | [no description available] | medium | 1 | 0 | dimethylxanthine | adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent |
retinol | [no description available] | medium | 7 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
chloric acid | [no description available] | medium | 2 | 1 | chlorine oxoacid | |
chlorates | [no description available] | medium | 2 | 1 | chlorine oxoanion; monovalent inorganic anion | |
strontium | [no description available] | medium | 1 | 0 | alkaline earth metal atom | |
ammonium chloride | [no description available] | medium | 7 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
histamine | [no description available] | medium | 4 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
titan yellow | [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 |
sodium salicylate | [no description available] | medium | 1 | 0 | organic molecular entity | |
salicylates | [no description available] | medium | 1 | 0 | monohydroxybenzoate | plant metabolite |
ammonium hydroxide | [no description available] | medium | 1 | 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 |
chromomycin a3 | [no description available] | medium | 1 | 0 | | |
tricalcium phosphate | [no description available] | medium | 9 | 1 | calcium phosphate | |
calcium phosphate, dibasic, anhydrous | [no description available] | medium | 4 | 0 | calcium phosphate | |
calcium phosphate, monobasic, anhydrous | [no description available] | medium | 4 | 0 | calcium phosphate | fertilizer |
strontium radioisotopes | [no description available] | medium | 3 | 1 | | |
calcium pyrophosphate | [no description available] | medium | 4 | 0 | | |
tolbutamide | [no description available] | medium | 1 | 0 | N-sulfonylurea | human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker |
calcium galactogluconate bromide | [no description available] | medium | 5 | 0 | | |
bromide | [no description available] | medium | 6 | 0 | halide anion; monoatomic bromine | |
tartaric acid | [no description available] | medium | 1 | 0 | tartaric acid | Escherichia coli metabolite |
methylergonovine | [no description available] | medium | 1 | 0 | ergoline alkaloid | |
dimethyl sulfoxide | [no description available] | medium | 3 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
lactic acid | [no description available] | medium | 8 | 2 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
chitosan | [no description available] | medium | 1 | 0 | | |
edetic acid | [no description available] | medium | 18 | 4 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
substance p | [no description available] | medium | 1 | 0 | peptide | neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent |
beta-endorphin | [no description available] | medium | 1 | 0 | | |
hydrochloric acid | [no description available] | medium | 5 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
peptones | [no description available] | medium | 1 | 1 | | |
phosphocreatine | [no description available] | medium | 1 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
fura-2 | [no description available] | medium | 1 | 0 | | |
amiloride | [no description available] | medium | 1 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
ranitidine | [no description available] | medium | 2 | 0 | C-nitro compound; furans; organic sulfide; tertiary amino compound | anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic |
fluorine | [no description available] | medium | 2 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
n-acetylmannosamine | [no description available] | medium | 1 | 0 | | |
dan 2163 | [no description available] | medium | 1 | 0 | aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone | environmental contaminant; second generation antipsychotic; xenobiotic |
sulpiride | [no description available] | medium | 1 | 0 | benzamides; N-alkylpyrrolidine; sulfonamide | antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
alpha-hydroxy-gamma-methylmercaptobutyric acid | [no description available] | medium | 1 | 0 | thia fatty acid | |
methionine | [no description available] | medium | 2 | 0 | aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid | antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical |
phytic acid | [no description available] | medium | 1 | 0 | inositol phosphate | |
fumaric acid | [no description available] | medium | 1 | 0 | butenedioic acid | food acidity regulator; fundamental metabolite; geroprotector |
fumarates | [no description available] | medium | 2 | 0 | butenedioate; C4-dicarboxylate | human metabolite; metabolite; Saccharomyces cerevisiae metabolite |
atenolol | [no description available] | medium | 1 | 0 | ethanolamines; monocarboxylic acid amide; propanolamine | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic |
cellobiose | [no description available] | medium | 1 | 0 | cellobiose | epitope |
enrofloxacin | [no description available] | medium | 1 | 1 | cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone | antibacterial agent; antimicrobial agent; antineoplastic agent |
succinic acid | [no description available] | medium | 2 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
fluoroacetic acid | [no description available] | medium | 2 | 0 | haloacetic acid; organofluorine compound | EC 4.2.1.3 (aconitate hydratase) inhibitor |
atropine | [no description available] | medium | 6 | 0 | | |
xylose | [no description available] | medium | 1 | 0 | D-xylose | |
olopatadine hydrochloride | [no description available] | medium | 1 | 1 | dibenzooxazepine | |
acetaminophen | [no description available] | medium | 1 | 1 | acetamides; phenols | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
rutin | [no description available] | medium | 1 | 1 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
rimantadine | [no description available] | medium | 1 | 1 | alkylamine | |
dextromethorphan | [no description available] | medium | 1 | 0 | 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene | antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic |
diphenhydramine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride; organoammonium salt | anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative |
gentamicin | [no description available] | medium | 2 | 1 | | |
calcium oxalate | [no description available] | medium | 2 | 0 | organic calcium salt | |
hydroxyproline | [no description available] | medium | 2 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
oxalates | [no description available] | medium | 4 | 0 | | |
cobalt | [no description available] | medium | 1 | 0 | cobalt group element atom; metal allergen | micronutrient |
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 |
venlafaxine hydrochloride | [no description available] | medium | 1 | 0 | hydrochloride | |
amifostine anhydrous | [no description available] | medium | 2 | 1 | diamine; organic thiophosphate | antioxidant; prodrug; radiation protective agent |
cyclohexanol | [no description available] | medium | 1 | 0 | cyclohexanols; secondary alcohol | solvent |
ondansetron | [no description available] | medium | 1 | 1 | carbazoles | |
pregabalin | [no description available] | medium | 1 | 0 | gamma-amino acid | anticonvulsant; calcium channel blocker |
diphenhydramine | [no description available] | medium | 2 | 0 | ether; tertiary amino compound | anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative |
gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
docetaxel anhydrous | [no description available] | medium | 1 | 1 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
ketene | [no description available] | medium | 1 | 0 | ketene | |
dorrigocin a | [no description available] | medium | 1 | 0 | | |
migrastatin | [no description available] | medium | 1 | 0 | ether; macrolide antibiotic; piperidones; secondary alcohol | antineoplastic agent; metabolite |
2-piperidone | [no description available] | medium | 1 | 0 | delta-lactam; piperidones | EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor |
alkenes | [no description available] | medium | 1 | 0 | | |
titanium | [no description available] | medium | 1 | 0 | titanium group element atom | |
calcium fumarate | [no description available] | medium | 1 | 0 | | |
levodopa | [no description available] | medium | 1 | 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 |
methyldopa | [no description available] | medium | 1 | 0 | L-tyrosine derivative; non-proteinogenic L-alpha-amino acid | alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent |
dobutamine | [no description available] | medium | 3 | 0 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
isoproterenol | [no description available] | medium | 5 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
dimethylglycine | [no description available] | medium | 1 | 0 | amino acid zwitterion; N-methyl-amino acid; N-methylglycines | Daphnia magna metabolite; human metabolite; mouse metabolite |
sarcosine | [no description available] | medium | 1 | 0 | N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines | Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite |
nitrites | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
pentazocine | [no description available] | medium | 1 | 0 | benzazocine | |
propranolol | [no description available] | medium | 2 | 0 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
docusate | [no description available] | medium | 1 | 0 | diester; organosulfonic acid | |
thioridazine | [no description available] | medium | 1 | 0 | phenothiazines; piperidines | alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist |
bretylium tosylate | [no description available] | medium | 1 | 0 | organosulfonate salt; quaternary ammonium salt | adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent |
bucladesine | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoacid | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoanion; monovalent inorganic anion | |
aluminum hydroxide, magnesium hydroxide, drug combination | [no description available] | medium | 1 | 0 | | |
tiopronin | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
dimercaprol | [no description available] | medium | 1 | 0 | dithiol; primary alcohol | chelator |
mannitol | [no description available] | medium | 2 | 0 | mannitol | allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent |
flurbiprofen | [no description available] | medium | 1 | 0 | fluorobiphenyl; monocarboxylic acid | antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug |
fluoxymesterone | [no description available] | medium | 1 | 1 | 11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid | anabolic agent; antineoplastic agent |
carmustine | [no description available] | medium | 1 | 1 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
melphalan | [no description available] | medium | 1 | 1 | L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound | alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent |
etidronate | [no description available] | medium | 1 | 0 | 1,1-bis(phosphonic acid) | antineoplastic agent; bone density conservation agent; chelator |
metronidazole | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles; primary alcohol | antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic |
thiamine | [no description available] | medium | 2 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
selenium | [no description available] | medium | 2 | 0 | chalcogen; nonmetal atom | micronutrient |
cystamine | [no description available] | medium | 1 | 0 | organic disulfide; primary amino compound | EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor |
ouabain | [no description available] | medium | 4 | 0 | 11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone | anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite |
methyl sulfate | [no description available] | medium | 1 | 0 | alkyl sulfate; one-carbon compound | |
gastrin 17 | [no description available] | medium | 1 | 0 | gastrin | antineoplastic agent |
angiotensin ii | [no description available] | medium | 2 | 0 | amino acid zwitterion; angiotensin II | human metabolite |
methocarbamol | [no description available] | medium | 2 | 0 | aromatic ether; carbamate ester; secondary alcohol | |
diazepam | [no description available] | medium | 2 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic |
diisopropylamine | [no description available] | medium | 1 | 0 | | |
diisopropylamine dichloroacetate | [no description available] | medium | 3 | 0 | carboxylic acid; organohalogen compound | |
cholestyramine resin | [no description available] | medium | 1 | 0 | | |
gold | [no description available] | medium | 1 | 0 | copper group element atom; elemental gold | |
methylprednisolone | [no description available] | medium | 4 | 0 | 6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic |
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 |
oleic acid | [no description available] | medium | 1 | 0 | octadec-9-enoic acid | antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent |
2-aminomethyl-4-t-butyl-6-iodophenol | [no description available] | medium | 1 | 0 | | |
thiopental | [no description available] | medium | 3 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
phosphocitrate | [no description available] | medium | 1 | 0 | | |
dichloroacetic acid | [no description available] | medium | 1 | 0 | monocarboxylic acid; organochlorine compound | astringent; marine metabolite |
framycetin | [no description available] | medium | 1 | 0 | aminoglycoside | allergen; antibacterial drug; Escherichia coli metabolite |
tetracycline | [no description available] | medium | 1 | 0 | | |
pituitrin | [no description available] | medium | 1 | 0 | | |
glycogen | [no description available] | medium | 1 | 0 | | |
phytosterols | [no description available] | medium | 1 | 0 | | |
orotic acid | [no description available] | medium | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
adipic acid | [no description available] | medium | 1 | 0 | alpha,omega-dicarboxylic acid; dicarboxylic fatty acid | food acidity regulator; human xenobiotic metabolite |
pindolol | [no description available] | medium | 1 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
vanilmandelic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid; aromatic ether; phenols | human metabolite |
sodium iodide | [no description available] | medium | 1 | 0 | inorganic sodium salt; iodide salt | |
technetium | [no description available] | medium | 3 | 0 | manganese group element atom | |
propionic acid | [no description available] | medium | 1 | 0 | saturated fatty acid; short-chain fatty acid | antifungal drug |
berberine | [no description available] | medium | 1 | 0 | alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound | antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker |
technetium tc 99m hydroxymethylene diphosphonate | [no description available] | medium | 1 | 0 | | |
thiosemicarbazide | [no description available] | medium | 1 | 0 | hydrazines; thiocarboxamide; thioureas | |
pentylenetetrazole | [no description available] | medium | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
strychnine | [no description available] | medium | 1 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
allopurinol | [no description available] | medium | 2 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
mafenide | [no description available] | medium | 1 | 0 | aromatic amine | |
sisomicin | [no description available] | medium | 2 | 0 | amino cyclitol glycoside; aminoglycoside antibiotic; beta-L-arabinoside; monosaccharide derivative | |
dipyridamole | [no description available] | medium | 2 | 0 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
adenosine | [no description available] | medium | 2 | 0 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
acetic acid | [no description available] | medium | 6 | 1 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
dipyrone | [no description available] | medium | 2 | 0 | organic sodium salt | anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug |
adenosine monophosphate | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
adenosine diphosphate | [no description available] | medium | 1 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
piracetam | [no description available] | medium | 1 | 1 | organonitrogen compound; organooxygen compound | |
pyrithioxin | [no description available] | medium | 1 | 1 | methylpyridines | |
gallium | [no description available] | medium | 1 | 0 | boron group element atom | |
yttrium | [no description available] | medium | 1 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
ytterbium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
nicardipine | [no description available] | medium | 1 | 0 | benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound | |
gamma-linolenic acid | [no description available] | medium | 1 | 0 | linolenic acid; omega-6 fatty acid | human metabolite; mouse metabolite; plant metabolite |
dapsone | [no description available] | medium | 1 | 0 | substituted aniline; sulfone | anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug |
famotidine | [no description available] | medium | 1 | 0 | 1,3-thiazoles; guanidines; sulfonamide | anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
felodipine | [no description available] | medium | 1 | 0 | dichlorobenzene; dihydropyridine; ethyl ester; methyl ester | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
arginine vasopressin | [no description available] | medium | 1 | 0 | vasopressin | cardiovascular drug; hematologic agent; mitogen |
amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
clobetasol | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone | anti-inflammatory drug; SMO receptor agonist |
flecainide | [no description available] | medium | 1 | 0 | aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines | anti-arrhythmia drug |
nafarelin | [no description available] | medium | 1 | 1 | oligopeptide | anti-estrogen; gonadotropin releasing hormone agonist |
xylazine | [no description available] | medium | 1 | 0 | 1,3-thiazine; methylbenzene; secondary amino compound | alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative |
halothane | [no description available] | medium | 2 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
sodium citrate, anhydrous | [no description available] | medium | 2 | 1 | organic sodium salt | anticoagulant; flavouring agent |
trimethylsilyl cyanide | [no description available] | medium | 1 | 0 | | |
pectins | [no description available] | medium | 1 | 0 | D-galactopyranuronic acid | |
sodium glutamate | [no description available] | medium | 1 | 0 | monosodium glutamate | flavouring agent |
azides | [no description available] | medium | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
retinol acetate | [no description available] | medium | 1 | 0 | acetate ester | |
magnesium phosphate (2:3) | [no description available] | medium | 1 | 0 | inorganic magnesium salt | |
angiotensin i | [no description available] | medium | 2 | 0 | angiotensin; peptide zwitterion | human metabolite; neurotransmitter agent |
aminocaproic acid | [no description available] | medium | 1 | 0 | amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid | antifibrinolytic drug; hematologic agent; metabolite |
instenon | [no description available] | medium | 1 | 0 | | |
hexobendine | [no description available] | medium | 1 | 0 | trihydroxybenzoic acid | |
chlormerodrin | [no description available] | medium | 1 | 0 | organomercury compound; ureas | diagnostic agent; diuretic |
phenytoin | [no description available] | medium | 1 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
tubocurarine | [no description available] | medium | 1 | 0 | bisbenzylisoquinoline alkaloid | drug allergen; muscle relaxant; nicotinic antagonist |
sulprostone | [no description available] | medium | 1 | 0 | prostanoid | |
vitamin u | [no description available] | medium | 1 | 0 | methyl-L-methionine; sulfonium betaine | |
clentiazem | [no description available] | medium | 1 | 0 | | |
benzethonium | [no description available] | medium | 2 | 0 | alkylbenzene | |
oxytetracycline, anhydrous | [no description available] | medium | 1 | 0 | | |
palladium | [no description available] | medium | 1 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
tin | [no description available] | medium | 1 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
riboflavin | [no description available] | medium | 2 | 0 | flavin; vitamin B2 | anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite |
fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
erythrosine | [no description available] | medium | 1 | 0 | | |
trapidil | [no description available] | medium | 1 | 0 | triazolopyrimidines | |
rifampin | [no description available] | medium | 1 | 0 | cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion | angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor |
hexobarbital | [no description available] | medium | 1 | 0 | barbiturates | |
prilocaine | [no description available] | medium | 1 | 0 | amino acid amide; monocarboxylic acid amide | anticonvulsant; local anaesthetic |
felypressin | [no description available] | medium | 1 | 0 | heterodetic cyclic peptide | vasoconstrictor agent; vasopressin receptor agonist |
nisoldipine | [no description available] | medium | 1 | 0 | C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester | |
thiamine pyrophosphate | [no description available] | medium | 1 | 0 | organic chloride salt; vitamin B1 | |
6-ketoprostaglandin f1 alpha | [no description available] | medium | 2 | 0 | prostaglandins Falpha | human metabolite; mouse metabolite |
pyrrolidonecarboxylic acid | [no description available] | medium | 3 | 2 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
calcium sulfate | [no description available] | medium | 1 | 0 | calcium salt; inorganic calcium salt | |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 1 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
isoniazid | [no description available] | medium | 1 | 0 | carbohydrazide | antitubercular agent; drug allergen |
glucose-1-phosphate | [no description available] | medium | 1 | 0 | D-glucopyranose 1-phosphate | |
desoxycorticosterone | [no description available] | medium | 1 | 0 | 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
toluene | [no description available] | medium | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
etoposide | [no description available] | medium | 1 | 0 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
magnesium carbonate | [no description available] | medium | 1 | 0 | carbonate salt; magnesium salt; one-carbon compound; organic magnesium salt | antacid; fertilizer |
indium | [no description available] | medium | 1 | 0 | boron group element atom | |
taurocholic acid | [no description available] | medium | 1 | 0 | amino sulfonic acid; bile acid taurine conjugate | human metabolite |
phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
ipriflavone | [no description available] | medium | 1 | 0 | aromatic ether; isoflavones | bone density conservation agent |
estrone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols | antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite |
netilmicin | [no description available] | medium | 1 | 0 | | |
sulfuryl fluoride | [no description available] | medium | 1 | 0 | sulfuryl halide | fumigant insecticide |
11-cis-retinal | [no description available] | medium | 1 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
tobramycin | [no description available] | medium | 1 | 0 | amino cyclitol glycoside | antibacterial agent; antimicrobial agent; toxin |
etimizol | [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 |
nigericin | [no description available] | medium | 1 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
phosphorus radioisotopes | [no description available] | medium | 1 | 0 | | |
boric acid | [no description available] | medium | 1 | 0 | boric acids | astringent |
borogluconate | [no description available] | medium | 1 | 0 | | |
strophanthidin | [no description available] | medium | 1 | 0 | 14beta-hydroxy steroid; 19-oxo steroid; 3beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolides; steroid aldehyde | |
acetylstrophanthidin | [no description available] | medium | 1 | 0 | acetate ester | anti-arrhythmia drug |
uric acid | [no description available] | medium | 1 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
pyrazinamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; N-acylammonia; pyrazines | antitubercular agent; prodrug |
probenecid | [no description available] | medium | 1 | 0 | benzoic acids; sulfonamide | uricosuric drug |
exudates | [no description available] | medium | 1 | 0 | | |
glyphosate | [no description available] | medium | 1 | 0 | glycine derivative; phosphonic acid | agrochemical; EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor; herbicide |
calendula | [no description available] | medium | 1 | 1 | | |
trolamine salicylate | [no description available] | medium | 3 | 0 | | |
ants | [no description available] | medium | 1 | 0 | | |
isomethyleugenol | [no description available] | medium | 1 | 0 | isomethyleugenol | |
fomesafen | [no description available] | medium | 2 | 0 | aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols | agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide |
apnea | [no description available] | medium | 1 | 0 | purine nucleoside | |
creatine | [no description available] | low | 0 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
glycocyamine | [no description available] | low | 0 | 0 | guanidinoacetic acids; zwitterion | bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
benphothiamine | [no description available] | low | 0 | 0 | aminopyrimidine; formamides; organic phosphate; thioester | antioxidant; immunological adjuvant; nutraceutical; protective agent; provitamin B1 |
vitamin k 3 | [no description available] | low | 0 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
glutamine | [no description available] | low | 0 | 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 |
tyrosine | [no description available] | low | 0 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine | EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
berlition | [no description available] | low | 0 | 0 | dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid | cofactor; nutraceutical; prosthetic group |
asparagine | [no description available] | low | 0 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
histidine | [no description available] | low | 0 | 0 | amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
valine | [no description available] | low | 0 | 0 | L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
threonine | [no description available] | low | 0 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
tryptophan | [no description available] | low | 0 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
citrulline | [no description available] | low | 0 | 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 |
levocarnitine | [no description available] | low | 0 | 0 | carnitine | antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role) |
sodium selenite | [no description available] | low | 0 | 0 | inorganic sodium salt; selenite salt | nutraceutical |
manganese chloride | [no description available] | low | 0 | 0 | hydrate; inorganic chloride; manganese coordination entity | MRI contrast agent; nutraceutical |
glutamic acid | [no description available] | low | 0 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
ferric citrate | [no description available] | low | 0 | 0 | iron chelate | anti-anaemic agent; nutraceutical |
n-acetylaspartic acid | [no description available] | low | 0 | 0 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
aspartame | [no description available] | low | 0 | 0 | carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester | apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic |
proline | [no description available] | low | 0 | 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 |
biotin | [no description available] | low | 0 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
7-oxodehydroepiandrosterone | [no description available] | low | 0 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; 7-oxo steroid; androstanoid | human blood serum metabolite; nutraceutical; prohormone |
docosahexaenoate | [no description available] | low | 0 | 0 | docosahexaenoic acid; omega-3 fatty acid | algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical |
eicosapentaenoic acid | [no description available] | low | 0 | 0 | icosapentaenoic acid; omega-3 fatty acid | anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical |
n-acetylmethionine | [no description available] | low | 0 | 0 | L-methionine derivative; N-acetyl-L-amino acid; N-acetylmethionine | nutraceutical |
pantethine | [no description available] | low | 0 | 0 | organic disulfide | coenzyme; nutraceutical |
curcumin | [no description available] | low | 0 | 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 |
8,11,14-eicosatrienoic acid | [no description available] | low | 0 | 0 | fatty acid 20:3; long-chain fatty acid | fungal metabolite; human metabolite; nutraceutical |
alpha-linolenic acid | [no description available] | low | 0 | 0 | linolenic acid; omega-3 fatty acid | micronutrient; mouse metabolite; nutraceutical |
oleuropein | [no description available] | low | 0 | 0 | beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside | anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger |
calcifediol | [no description available] | low | 0 | 0 | D3 vitamins; diol; hydroxycalciol | bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical |
25-hydroxyvitamin d 2 | [no description available] | low | 0 | 0 | hydroxycalciol; seco-ergostane; vitamin D | bone density conservation agent; human xenobiotic metabolite; nutraceutical |
1,25-dihydroxyergocalciferol | [no description available] | low | 0 | 0 | hydroxycalciol; seco-ergostane; vitamin D | bone density conservation agent; human xenobiotic metabolite; nutraceutical |
chromium tripicolinate | [no description available] | low | 0 | 0 | chromium coordination entity | anti-obesity agent; geroprotector; hypoglycemic agent; nutraceutical |
calcium acetate | [no description available] | low | 0 | 0 | calcium salt | chelator |
calcium hypochlorite | [no description available] | low | 0 | 0 | calcium salt; inorganic calcium salt | bleaching agent |
calcium sulfate dihydrate | [no description available] | low | 0 | 0 | calcium salt; hydrate | |
calcium nitrate | [no description available] | low | 0 | 0 | calcium salt; inorganic nitrate salt | fertilizer |
calcium phosphate, dibasic, dihydrate | [no description available] | low | 0 | 0 | calcium salt; hydrate | |
nk 104 | [no description available] | low | 0 | 0 | calcium salt; statin (synthetic) | antioxidant |
calcium bromide | [no description available] | low | 0 | 0 | calcium salt | |