Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
quercetin | [no description available] | medium | 1 | 0 | 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 |
mannans | [no description available] | medium | 2 | 0 | | |
1-anilino-8-naphthalenesulfonate | [no description available] | medium | 4 | 0 | aminonaphthalene; naphthalenesulfonic acid | fluorescent probe |
pectins | [no description available] | medium | 2 | 0 | D-galactopyranuronic acid | |
maltodextrin | [no description available] | medium | 1 | 0 | | |
chitosan | [no description available] | medium | 15 | 0 | | |
mannose | [no description available] | medium | 1 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
curcumin | [no description available] | medium | 5 | 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 |
tannins | [no description available] | medium | 1 | 0 | | |
cellulose | [no description available] | medium | 18 | 0 | glycoside | |
resveratrol | [no description available] | medium | 1 | 0 | resveratrol | antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger |
sizofiran | [no description available] | medium | 1 | 0 | | |
sodium borate | [no description available] | medium | 1 | 0 | | |
hydroxyl radical | [no description available] | medium | 1 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
caprolactone | [no description available] | medium | 2 | 0 | epsilon-lactone | |
nitrates | [no description available] | medium | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
d-alpha tocopherol | [no description available] | medium | 1 | 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 |
phthalic anhydride | [no description available] | medium | 4 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride | allergen |
tryptophan | [no description available] | medium | 2 | 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 |
amylopectin | [no description available] | medium | 5 | 0 | | |
potassium carbonate | [no description available] | medium | 1 | 0 | carbonate salt; potassium salt | catalyst; fertilizer; flame retardant |
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 |
fructans | [no description available] | medium | 1 | 0 | | |
carvacrol | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; p-menthane monoterpenoid; phenols | agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component |
nonenyl succinic anhydride | [no description available] | medium | 2 | 0 | | |
ferulic acid | [no description available] | medium | 2 | 0 | ferulic acids | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite |
beta carotene | [no description available] | medium | 1 | 0 | carotenoid beta-end derivative; cyclic carotene | antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A |
betadex | [no description available] | medium | 1 | 0 | cyclodextrin | |
deoxycholic acid | [no description available] | medium | 1 | 0 | bile acid; C24-steroid; dihydroxy-5beta-cholanic acid | human blood serum metabolite |
caloreen | [no description available] | medium | 3 | 0 | | |
octenyl succinate | [no description available] | medium | 2 | 0 | | |
naringin | [no description available] | medium | 1 | 0 | (2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside | anti-inflammatory agent; antineoplastic agent; metabolite |
sucrose | [no description available] | medium | 1 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
2,3-dimethylmaleic anhydride | [no description available] | medium | 2 | 0 | butenolide | |
maleic anhydride | [no description available] | medium | 9 | 0 | cyclic dicarboxylic anhydride; furans | allergen |
daunorubicin | [no description available] | medium | 1 | 0 | aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones | antineoplastic agent; bacterial metabolite |
domperidone | [no description available] | medium | 1 | 0 | benzimidazoles; heteroarylpiperidine | antiemetic; dopaminergic antagonist |
hydrogen | [no description available] | medium | 2 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
1-allyl-3-methylimidazolium | [no description available] | medium | 1 | 0 | | |
muramidase | [no description available] | medium | 2 | 0 | | |
sepharose | [no description available] | medium | 1 | 0 | | |
isosorbide | [no description available] | medium | 1 | 0 | organic molecular entity | |
1,4-butanediol | [no description available] | medium | 1 | 0 | butanediol; glycol | neurotoxin; prodrug; protic solvent |
docetaxel anhydrous | [no description available] | medium | 1 | 0 | secondary alpha-hydroxy ketone; tetracyclic diterpenoid | antimalarial; antineoplastic agent; photosensitizing agent |
dicyclohexylcarbodiimide | [no description available] | medium | 1 | 0 | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
2-naphthol | [no description available] | medium | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
alpha-aminopyridine | [no description available] | medium | 2 | 0 | | |
sodium hydroxide | [no description available] | medium | 3 | 0 | alkali metal hydroxide | |
citric acid, anhydrous | [no description available] | medium | 3 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
glycerol | [no description available] | medium | 2 | 0 | alditol; triol | algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent |
cyclosporine | [no description available] | medium | 1 | 0 | | |
methane | [no description available] | medium | 1 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
lutein | [no description available] | medium | 1 | 0 | carotenol | food colouring; plant metabolite |
fluorexon | [no description available] | medium | 1 | 0 | xanthene dye | fluorochrome |
folic acid | [no description available] | medium | 1 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
protoporphyrin ix | [no description available] | medium | 1 | 0 | | |
erythrosine | [no description available] | medium | 1 | 0 | | |
4-butyrolactone | [no description available] | medium | 3 | 0 | butan-4-olide | metabolite; neurotoxin |
ruthenium | [no description available] | medium | 1 | 0 | iron group element atom; platinum group metal atom | |
ethylmaleimide | [no description available] | medium | 1 | 0 | maleimides | anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor |
deoxycytidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
paclitaxel | [no description available] | medium | 1 | 0 | taxane diterpenoid; tetracyclic diterpenoid | antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent |
gemcitabine | [no description available] | medium | 1 | 0 | organofluorine compound; pyrimidine 2'-deoxyribonucleoside | antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic |
cadmium | [no description available] | medium | 3 | 0 | cadmium molecular entity; zinc group element atom | |
diethylene glycol | [no description available] | medium | 1 | 0 | hydroxyether | |
isoprene | [no description available] | medium | 1 | 0 | alkadiene; hemiterpene; volatile organic compound | plant metabolite |
carvone | [no description available] | medium | 1 | 0 | botanical anti-fungal agent; carvones | allergen |
phosphoryl chloride | [no description available] | medium | 1 | 0 | phosphorus coordination entity | |
acetic anhydride | [no description available] | medium | 13 | 0 | acyclic carboxylic anhydride | metabolite; reagent |
trimetaphosphoric acid | [no description available] | medium | 1 | 0 | cyclic phosphorus acid anhydride; inorganic heterocyclic compound; phosphorus oxoacid | |
chloramphenicol | [no description available] | medium | 1 | 0 | C-nitro compound; carboxamide; diol; organochlorine compound | antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor |
spermidine | [no description available] | medium | 1 | 0 | polyazaalkane; triamine | autophagy inducer; fundamental metabolite; geroprotector |
succinic acid | [no description available] | medium | 4 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
timolol | [no description available] | medium | 1 | 0 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
triphosphoric acid | [no description available] | medium | 1 | 0 | acyclic phosphorus acid anhydride; phosphorus oxoacid | |
glucuronic acid | [no description available] | medium | 2 | 0 | D-glucuronic acid | algal metabolite |
phencyclidine | [no description available] | medium | 1 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
fenofibrate | [no description available] | medium | 1 | 0 | aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes | antilipemic drug; environmental contaminant; geroprotector; xenobiotic |
ethyldimethylaminopropyl carbodiimide | [no description available] | medium | 1 | 0 | | |
2-mercaptonicotinic acid | [no description available] | medium | 1 | 0 | | |
aminopropylsilane | [no description available] | medium | 1 | 0 | | |
glutaral | [no description available] | medium | 2 | 0 | dialdehyde | cross-linking reagent; disinfectant; fixative |
silicon | [no description available] | medium | 1 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
sulfamethoxazole | [no description available] | medium | 1 | 0 | isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic |
azoxymethane | [no description available] | medium | 1 | 0 | | |
stearic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite |
lithium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
urea | [no description available] | medium | 2 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
rivastigmine | [no description available] | medium | 1 | 0 | carbamate ester; tertiary amino compound | cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent |
2-methoxyestradiol | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-hydroxy steroid | angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite |
divinyl sulfone | [no description available] | medium | 1 | 0 | sulfone | cross-linking reagent |
bisbenzimidazole | [no description available] | medium | 1 | 0 | bibenzimidazole; N-methylpiperazine | anthelminthic drug; fluorochrome |
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 |
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 |
asparagine | [no description available] | medium | 1 | 0 | amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
epidermal growth factor | [no description available] | medium | 1 | 0 | | |
bromosuccinimide | [no description available] | medium | 2 | 0 | dicarboximide; organobromine compound; pyrrolidinone | reagent |
chromium | [no description available] | medium | 1 | 0 | chromium cation; monoatomic hexacation | |
chromium | [no description available] | medium | 1 | 0 | chromium group element atom; metal allergen | micronutrient |
caseins | [no description available] | medium | 3 | 0 | | |
ethylenediamine | [no description available] | medium | 2 | 0 | alkane-alpha,omega-diamine | GABA agonist |
lysine | [no description available] | medium | 15 | 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 |
methylcellulose | [no description available] | medium | 1 | 0 | | |
lead | [no description available] | medium | 2 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
cysteine | [no description available] | medium | 3 | 0 | cysteinium | fundamental metabolite |
acrylamide | [no description available] | medium | 2 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
propionic anhydride | [no description available] | medium | 1 | 0 | | |
camptothecin | [no description available] | medium | 2 | 0 | delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol | antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite |
lignin | [no description available] | medium | 2 | 0 | | |
dinitrofluorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; organofluorine compound | agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent |
hydroxyproline | [no description available] | medium | 1 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
genipin | [no description available] | medium | 1 | 0 | iridoid monoterpenoid | anti-inflammatory agent; antioxidant; apoptosis inhibitor; cross-linking reagent; hepatotoxic agent; uncoupling protein inhibitor |
iridoids | [no description available] | medium | 1 | 0 | | |
pyridine | [no description available] | medium | 1 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
ovalbumin | [no description available] | medium | 2 | 0 | | |
dicofol | [no description available] | medium | 1 | 0 | monochlorobenzenes; organochlorine acaricide; tertiary alcohol | |
phenylisothiocyanate | [no description available] | medium | 2 | 0 | isothiocyanate | allergen; reagent |
peroxyformic acid | [no description available] | medium | 3 | 0 | | |
pyrrolidonecarboxylic acid | [no description available] | medium | 2 | 0 | 5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid | algal metabolite |
bisphenol a | [no description available] | medium | 1 | 0 | bisphenol | endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen |
nsc 83265 | [no description available] | medium | 1 | 0 | benzenoid aromatic compound | |
limestone | [no description available] | medium | 1 | 0 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
dicumyl peroxide | [no description available] | medium | 1 | 0 | | |
benzoyl peroxide | [no description available] | medium | 1 | 0 | carbonyl compound | |
3-(trimethoxysilyl)propylamine | [no description available] | medium | 1 | 0 | | |
galactose | [no description available] | medium | 1 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
boranes | [no description available] | medium | 1 | 0 | boranes; mononuclear parent hydride | |
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 |
4-hydroxy-2-hexenal | [no description available] | medium | 1 | 0 | fatty aldehyde | |
4-hydroxy-2-nonenal | [no description available] | medium | 1 | 0 | 4-hydroxynon-2-enal; 4-hydroxynonenal | |
deuterium | [no description available] | medium | 5 | 0 | dihydrogen | |
hydrazine | [no description available] | medium | 2 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
sulfadiazine | [no description available] | medium | 1 | 0 | pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
toluene | [no description available] | medium | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
1-methyl-3-ethylimidazolium | [no description available] | medium | 1 | 0 | 1-alkyl-3-methylimidazolium | |
alanylalanine | [no description available] | medium | 1 | 0 | dipeptide | |
ristocetin | [no description available] | medium | 1 | 0 | glycopeptide; heterodetic cyclic peptide; macrocycle; tetrasaccharide derivative | antibacterial drug; antimicrobial agent; bacterial metabolite; platelet-activating factor receptor agonist |
histidine | [no description available] | medium | 2 | 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 |
chlorine | [no description available] | medium | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
pituitrin | [no description available] | medium | 1 | 0 | | |
n-vinyl-2-pyrrolidinone | [no description available] | medium | 1 | 0 | pyrrolidin-2-ones | |
ciprofloxacin | [no description available] | medium | 1 | 0 | aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion | antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic |
ethylene dimethacrylate | [no description available] | medium | 1 | 0 | enoate ester | allergen; cross-linking reagent; polymerisation monomer |
ethylene glycol | [no description available] | medium | 1 | 0 | ethanediol; glycol | metabolite; mouse metabolite; solvent; toxin |
formamide | [no description available] | medium | 1 | 0 | carboximidic acid; formamides; monocarboxylic acid amide; one-carbon compound | solvent |
aluminum | [no description available] | medium | 2 | 0 | boron group element atom; elemental aluminium; metal atom | |
nickel | [no description available] | medium | 2 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
aconitic acid | [no description available] | medium | 1 | 0 | tricarboxylic acid | |
aconitic anhydride | [no description available] | medium | 1 | 0 | | |
n-succinyl-chitosan | [no description available] | medium | 1 | 0 | | |
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 |
1-monooleoyl-rac-glycerol | [no description available] | medium | 1 | 0 | 1-acylglycerol 18:1; monooleoylglycerol | plant metabolite |
polytrimethylene carbonate | [no description available] | medium | 1 | 0 | | |
mercury | [no description available] | medium | 1 | 0 | elemental mercury; zinc group element atom | neurotoxin |
arginyl-glycyl-aspartic acid | [no description available] | medium | 1 | 0 | oligopeptide | |
heme | [no description available] | medium | 1 | 0 | | |
agar | [no description available] | medium | 1 | 0 | | |
trifluoroacetic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
shellac | [no description available] | medium | 1 | 0 | | |
bitoscanate | [no description available] | medium | 1 | 0 | benzenes | |
malondialdehyde | [no description available] | medium | 1 | 0 | dialdehyde | biomarker |
1,2-cyclohexanedione | [no description available] | medium | 1 | 0 | cyclohexanedione | |
arginine | [no description available] | medium | 2 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
tiletamine hydrochloride | [no description available] | medium | 1 | 0 | | |
phenylglyoxal | [no description available] | medium | 2 | 0 | phenylacetaldehydes | |
egtazic acid | [no description available] | medium | 1 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
phosphatidylcholines | [no description available] | medium | 2 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
cyanogen bromide | [no description available] | medium | 2 | 0 | | |
11-cis-retinal | [no description available] | medium | 1 | 0 | retinal | chromophore; human metabolite; mouse metabolite |
diazodiiodosulfanilic acid | [no description available] | medium | 1 | 0 | | |
guanidine | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
acetamide | [no description available] | medium | 1 | 0 | acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia | |
cystine | [no description available] | medium | 1 | 0 | | |
methacrylamide | [no description available] | medium | 2 | 0 | acrylamides; primary carboxamide | |
hydroxyethyl methacrylate | [no description available] | medium | 3 | 0 | enoate ester | allergen; polymerisation monomer |
carboxyl radical | [no description available] | medium | 1 | 0 | carbon oxide; organic radical anion | xenobiotic metabolite |
bisphenol a-glycidyl methacrylate | [no description available] | medium | 2 | 0 | diarylmethane | |
triethylene glycol dimethacrylate | [no description available] | medium | 2 | 0 | | |
g(m1) ganglioside | [no description available] | medium | 1 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide | |
p-azobenzenearsonate | [no description available] | medium | 2 | 0 | | |
n,n-dimethyl-4-anisidine | [no description available] | medium | 1 | 0 | | |
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 |
threonine | [no description available] | medium | 1 | 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 |
2-hydroxy-5-nitrobenzyl bromide | [no description available] | medium | 1 | 0 | | |
tetranitromethane | [no description available] | medium | 2 | 0 | organonitrogen compound | |
suprofen | [no description available] | medium | 1 | 0 | aromatic ketone; monocarboxylic acid; thiophenes | antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug |
n-acetylneuraminic acid | [no description available] | medium | 1 | 0 | N-acetylneuraminic acids | antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite |
pimagedine | [no description available] | medium | 1 | 0 | guanidines; one-carbon compound | EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor |
thymidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
iodoacetic acid | [no description available] | medium | 1 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
4-vinylpyridine | [no description available] | medium | 1 | 0 | | |
fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
pentetic acid | [no description available] | medium | 1 | 0 | pentacarboxylic acid | copper chelator |
sodium cyanate | [no description available] | medium | 1 | 0 | cyanate salt; one-carbon compound | |
cyanates | [no description available] | medium | 1 | 0 | | |
neoandrographolide | [no description available] | medium | 1 | 0 | | |
glucose, (beta-d)-isomer | [no description available] | medium | 1 | 0 | D-glucopyranose | epitope; mouse metabolite |
andrographolide | [no description available] | medium | 1 | 0 | carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol | anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite |
guanine | [no description available] | medium | 1 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
8-hydroxyguanine | [no description available] | medium | 1 | 0 | oxopurine | |
roxindole | [no description available] | medium | 1 | 0 | indoles | alpha-adrenergic antagonist; serotonergic drug |
dinitrochlorobenzene | [no description available] | medium | 1 | 0 | C-nitro compound; monochlorobenzenes | allergen; epitope; sensitiser |
indomethacin | [no description available] | medium | 1 | 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 |
o-methylisourea | [no description available] | medium | 1 | 0 | | |
cardiovascular agents | [no description available] | medium | 1 | 0 | | |
acebutolol | [no description available] | medium | 1 | 0 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
3-maleimidobenzoyl n-hydroxysuccinimide | [no description available] | medium | 1 | 0 | | |
m-maleimidobenzoyl-n-hydroxysulfosuccinimide ester | [no description available] | medium | 1 | 0 | | |
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 |
farnesoic acid | [no description available] | medium | 1 | 0 | farnesoic acid | animal metabolite |
farnesol | [no description available] | medium | 1 | 0 | farnesol | plant metabolite |
methacrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | |
methyl acetimidate | [no description available] | medium | 1 | 0 | | |
trinitrobenzenesulfonic acid | [no description available] | medium | 2 | 0 | arenesulfonic acid; C-nitro compound | epitope; explosive; reagent |
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 1 | 0 | stilbenoid | |
phosphoric acid | [no description available] | medium | 1 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
dihydrotestosterone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid | androgen; Daphnia magna metabolite; human metabolite; mouse metabolite |
3-methylthiopropionate | [no description available] | medium | 1 | 0 | thia fatty acid | phytotoxin |
biotin | [no description available] | medium | 1 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
valinomycin | [no description available] | medium | 1 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
nigericin | [no description available] | medium | 1 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
potassium iodide | [no description available] | medium | 1 | 0 | potassium salt | expectorant; radical scavenger |
bilirubin | [no description available] | medium | 1 | 0 | biladienes; dicarboxylic acid | antioxidant; human metabolite; mouse metabolite |
lactic acid | [no description available] | medium | 1 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
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 |
pyruvic acid | [no description available] | medium | 1 | 0 | 2-oxo monocarboxylic acid | cofactor; fundamental metabolite |
sodium dodecyl sulfate | [no description available] | medium | 1 | 0 | organic sodium salt | detergent; protein denaturant |
alpha-chymotrypsin | [no description available] | medium | 1 | 0 | | |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoacid | |
permanganate | [no description available] | medium | 1 | 0 | manganese oxoacid | |
hypochlorous acid | [no description available] | medium | 1 | 0 | chlorine oxoacid; reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite |
transferrin | [no description available] | medium | 1 | 0 | | |
manganese | [no description available] | medium | 1 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
hydrogen carbonate | [no description available] | medium | 1 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
metaperiodate | [no description available] | medium | 1 | 0 | iodine oxoanion; monovalent inorganic anion | |
diethyl pyrocarbonate | [no description available] | medium | 2 | 0 | acyclic carboxylic anhydride | |
thyroxine | [no description available] | medium | 1 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
dithioerythritol | [no description available] | medium | 1 | 0 | 1,4-dimercaptobutane-2,3-diol | reducing agent |
dithiobis(succinimidylpropionate) | [no description available] | medium | 1 | 0 | | |
cantharidin | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
1,8-naphthalenedicarboxylic acid anhydride | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride | |
glutaric anhydride | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; oxanes | |
tetrachlorophthalic anhydride | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; tetrachlorobenzene | allergen; cross-linking reagent |
trimellitic anhydride | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride; dioxo monocarboxylic acid | allergen; epitope; hapten |
tetrabromophthalic anhydride | [no description available] | low | 0 | 0 | 2-benzofurans; cyclic dicarboxylic anhydride | |
cornexistin | [no description available] | low | 0 | 0 | cyclic dicarboxylic anhydride; organic heterobicyclic compound; secondary alpha-hydroxy ketone | herbicide; metabolite |
keto-pantoyllactone | [no description available] | low | 0 | 0 | tetrahydrofurandione | |