Substance | Description | Relationhip Strength | Studies | Trials | Classes | Roles |
thallium acetate | [no description available] | medium | 32 | 0 | acetate salt; thallium molecular entity | apoptosis inducer; neurotoxin |
lead | [no description available] | medium | 114 | 0 | carbon group element atom; elemental lead; metal atom | neurotoxin |
ferric ferrocyanide | [no description available] | medium | 56 | 1 | | |
metallothionein | [no description available] | medium | 3 | 0 | | |
bromide | [no description available] | medium | 13 | 0 | halide anion; monoatomic bromine | |
cobalt | [no description available] | medium | 33 | 0 | cobalt group element atom; metal allergen | micronutrient |
barium | [no description available] | medium | 21 | 1 | alkaline earth metal atom; elemental barium | |
mercury | [no description available] | medium | 85 | 0 | elemental mercury; zinc group element atom | neurotoxin |
aprepitant | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles | antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist |
tropolone | [no description available] | medium | 1 | 0 | alpha-hydroxy ketone; cyclic ketone; enol | bacterial metabolite; fungicide; toxin |
bismuth | [no description available] | medium | 41 | 0 | metal atom; pnictogen | |
permanganate | [no description available] | medium | 2 | 0 | manganese oxoacid | |
zinc carbonate | [no description available] | medium | 1 | 0 | organooxygen compound | |
carbonates | [no description available] | medium | 9 | 0 | carbon oxoanion | |
cesium | [no description available] | medium | 79 | 0 | alkali metal atom | |
antimony | [no description available] | medium | 34 | 0 | metalloid atom; pnictogen | |
tin | [no description available] | medium | 14 | 0 | carbon group element atom; elemental tin; metal atom | micronutrient |
arsenic | [no description available] | medium | 82 | 0 | metalloid atom; pnictogen | micronutrient |
tungsten | [no description available] | medium | 9 | 0 | chromium group element atom | micronutrient |
manganese | [no description available] | medium | 42 | 0 | elemental manganese; manganese group element atom | Escherichia coli metabolite; micronutrient |
cadmium | [no description available] | medium | 98 | 0 | cadmium molecular entity; zinc group element atom | |
aluminum | [no description available] | medium | 22 | 0 | boron group element atom; elemental aluminium; metal atom | |
strontium | [no description available] | medium | 7 | 0 | alkaline earth metal atom | |
uranium | [no description available] | medium | 27 | 0 | actinoid atom; f-block element atom; monoatomic uranium | |
molybdenum | [no description available] | medium | 16 | 0 | chromium group element atom | micronutrient |
rubidium | [no description available] | medium | 90 | 0 | alkali metal atom | |
nickel | [no description available] | medium | 37 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
chromium | [no description available] | medium | 28 | 0 | chromium group element atom; metal allergen | micronutrient |
methane | [no description available] | medium | 6 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
mica | [no description available] | medium | 1 | 0 | | |
vermiculite | [no description available] | medium | 1 | 0 | | |
clay | [no description available] | medium | 2 | 0 | | |
illite | [no description available] | medium | 5 | 0 | | |
cimetidine | [no description available] | medium | 1 | 0 | aliphatic sulfide; guanidines; imidazoles; nitrile | adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor |
goethite | [no description available] | medium | 2 | 0 | | |
manganite | [no description available] | medium | 1 | 0 | | |
selenium | [no description available] | medium | 26 | 0 | chalcogen; nonmetal atom | micronutrient |
vanadium | [no description available] | medium | 10 | 0 | elemental vanadium; vanadium group element atom | micronutrient |
alpha-synuclein | [no description available] | medium | 1 | 0 | | |
tellurium | [no description available] | medium | 21 | 0 | chalcogen; metalloid atom | |
osmium | [no description available] | medium | 3 | 0 | iron group element atom; platinum group metal atom | |
fluorescein-5-isothiocyanate | [no description available] | medium | 1 | 0 | fluorescein isothiocyanate | |
silver | [no description available] | medium | 18 | 0 | copper group element atom; elemental silver | Escherichia coli metabolite |
oxalic acid | [no description available] | medium | 3 | 0 | alpha,omega-dicarboxylic acid | algal metabolite; human metabolite; plant metabolite |
polonium | [no description available] | medium | 4 | 0 | chalcogen; metal atom | |
radon | [no description available] | medium | 5 | 0 | monoatomic radon; noble gas atom; p-block element atom | |
radium | [no description available] | medium | 13 | 0 | alkaline earth metal atom | |
lithium | [no description available] | medium | 44 | 0 | alkali metal atom | |
beryllium | [no description available] | medium | 12 | 0 | alkaline earth metal atom; elemental beryllium; metal allergen | adjuvant; carcinogenic agent; epitope |
titanium | [no description available] | medium | 6 | 0 | titanium group element atom | |
platinum | [no description available] | medium | 16 | 0 | elemental platinum; nickel group element atom; platinum group metal atom | |
arsenous acid | [no description available] | medium | 1 | 0 | arsenic oxoacid | |
cellulose | [no description available] | medium | 1 | 0 | glycoside | |
ruthenium | [no description available] | medium | 2 | 0 | iron group element atom; platinum group metal atom | |
lysine | [no description available] | medium | 3 | 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 |
pyridoxal phosphate | [no description available] | medium | 1 | 0 | methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate | coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
lignin | [no description available] | medium | 1 | 0 | | |
thallium sulfate | [no description available] | medium | 37 | 0 | metal sulfate; thallium molecular entity | insecticide; rodenticide |
sulfur | [no description available] | medium | 4 | 0 | chalcogen; nonmetal atom | macronutrient |
iodine | [no description available] | medium | 52 | 0 | halide anion; monoatomic iodine | human metabolite |
monomethylarsonic acid | [no description available] | medium | 1 | 0 | arsonic acids; one-carbon compound; organoarsonic acid | |
phosphorus | [no description available] | medium | 13 | 0 | monoatomic phosphorus; nonmetal atom; pnictogen | macronutrient |
gallium | [no description available] | medium | 37 | 1 | boron group element atom | |
oxadiazoles | [no description available] | medium | 1 | 0 | | |
proline | [no description available] | medium | 5 | 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 |
limestone | [no description available] | medium | 3 | 0 | calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound | antacid; fertilizer; food colouring; food firming agent |
cesium iodide | [no description available] | medium | 13 | 0 | | |
gadolinium | [no description available] | medium | 5 | 1 | f-block element atom; lanthanoid atom | |
gadolinium sulfoxylate | [no description available] | medium | 2 | 0 | | |
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 |
pyrethrins | [no description available] | medium | 2 | 0 | | |
atrazine | [no description available] | medium | 1 | 0 | chloro-1,3,5-triazine; diamino-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
decamethrin | [no description available] | medium | 2 | 0 | aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound | agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide |
jarosite | [no description available] | medium | 5 | 0 | | |
perfluorooctanoic acid | [no description available] | medium | 1 | 0 | fluoroalkanoic acid | carcinogenic agent; endocrine disruptor; environmental contaminant; surfactant; xenobiotic |
benzene | [no description available] | medium | 2 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
perfluorooctane sulfonic acid | [no description available] | medium | 1 | 0 | perfluoroalkanesulfonic acid | antilipemic drug; persistent organic pollutant |
caprylates | [no description available] | medium | 3 | 0 | fatty acid anion 8:0; straight-chain saturated fatty acid anion | human metabolite; Saccharomyces cerevisiae metabolite |
ono 1078 | [no description available] | medium | 1 | 0 | chromones | |
phencyclidine | [no description available] | medium | 5 | 0 | benzenes; piperidines | anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug |
thallium nitrate | [no description available] | medium | 15 | 0 | | |
ammonium hydroxide | [no description available] | medium | 19 | 1 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
thallium chloride | [no description available] | medium | 601 | 78 | inorganic chloride; thallium molecular entity | |
thallium-201 | [no description available] | medium | 2 | 0 | thallium | |
bromine | [no description available] | medium | 5 | 0 | diatomic bromine | |
boron | [no description available] | medium | 8 | 0 | boron group element atom; metalloid atom; nonmetal atom | micronutrient |
pentetic acid | [no description available] | medium | 15 | 0 | pentacarboxylic acid | copper chelator |
n,n'-ethylenediamine disuccinic acid | [no description available] | medium | 1 | 0 | | |
glycine | [no description available] | medium | 4 | 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 |
citric acid, anhydrous | [no description available] | medium | 13 | 0 | tricarboxylic acid | antimicrobial agent; chelator; food acidity regulator; fundamental metabolite |
edetic acid | [no description available] | medium | 31 | 0 | ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid | anticoagulant; antidote; chelator; copper chelator; geroprotector |
n,n-bis(carboxymethyl)glutamic acid | [no description available] | medium | 1 | 0 | | |
heroin | [no description available] | medium | 4 | 0 | morphinane alkaloid | mu-opioid receptor agonist; opioid analgesic; prodrug |
chlorine | [no description available] | medium | 5 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
manganese dioxide | [no description available] | medium | 4 | 0 | manganese molecular entity; metal oxide | |
gold | [no description available] | medium | 17 | 0 | copper group element atom; elemental gold | |
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 |
malondialdehyde | [no description available] | medium | 5 | 0 | dialdehyde | biomarker |
ouabain | [no description available] | medium | 47 | 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 |
tram 34 | [no description available] | medium | 2 | 0 | organochlorine compound | |
ns 309 | [no description available] | medium | 3 | 0 | | |
dipyridamole | [no description available] | medium | 148 | 5 | piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol | adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent |
technetium | [no description available] | medium | 336 | 2 | manganese group element atom | |
technetium tc 99m pyrophosphate | [no description available] | medium | 86 | 2 | | |
2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid | [no description available] | medium | 1 | 0 | | |
hydroxyl radical | [no description available] | medium | 2 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
1,1-diphenyl-2-picrylhydrazyl | [no description available] | medium | 1 | 0 | | |
lycopene | [no description available] | medium | 1 | 0 | acyclic carotene | antioxidant; plant metabolite |
rutin | [no description available] | medium | 1 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
chlorogenic acid | [no description available] | medium | 1 | 0 | cinnamate ester; tannin | food component; plant metabolite |
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 |
deferasirox | [no description available] | medium | 3 | 0 | benzoic acids; monocarboxylic acid; phenols; triazoles | iron chelator |
indium | [no description available] | medium | 38 | 1 | boron group element atom | |
loperamide | [no description available] | medium | 1 | 0 | monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol | anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist |
succinic acid | [no description available] | medium | 3 | 0 | alpha,omega-dicarboxylic acid; C4-dicarboxylic acid | anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent |
dipicolinic acid | [no description available] | medium | 1 | 0 | pyridinedicarboxylic acid | bacterial metabolite |
sulfuric acid | [no description available] | medium | 3 | 0 | sulfur oxoacid | catalyst |
tantalum | [no description available] | medium | 2 | 0 | vanadium group element atom | |
niobium | [no description available] | medium | 3 | 0 | vanadium group element atom | |
perovskite | [no description available] | medium | 1 | 0 | | |
lactic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite; Daphnia magna metabolite |
chlorine | [no description available] | medium | 36 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
thiazolidines | [no description available] | medium | 1 | 0 | thiazolidine | |
clp257 | [no description available] | medium | 1 | 0 | | |
mersalyl | [no description available] | medium | 2 | 0 | | |
18-crown-6 | [no description available] | medium | 1 | 0 | crown ether; saturated organic heteromonocyclic parent | phase-transfer catalyst |
iodofiltic acid | [no description available] | medium | 34 | 8 | | |
rhenium | [no description available] | medium | 2 | 0 | manganese group element atom | |
yttrium | [no description available] | medium | 4 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
cerium | [no description available] | medium | 4 | 0 | f-block element atom; lanthanoid atom | |
lanthanum | [no description available] | medium | 8 | 0 | f-block element atom; lanthanoid atom; scandium group element atom | |
lanthanum bromide | [no description available] | medium | 2 | 0 | | |
ferrihydrite | [no description available] | medium | 1 | 0 | | |
fluorodeoxyglucose f18 | [no description available] | medium | 32 | 9 | 2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose | |
europium | [no description available] | medium | 2 | 0 | f-block element atom; lanthanoid atom | |
sodium iodide | [no description available] | medium | 17 | 0 | inorganic sodium salt; iodide salt | |
styrene | [no description available] | medium | 1 | 0 | styrenes; vinylarene; volatile organic compound | mouse metabolite; mutagen; plant metabolite |
1,2,5,8-tetrahydroxy anthraquinone | [no description available] | medium | 1 | 0 | tetrahydroxyanthraquinone | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
tribromoethanol | [no description available] | medium | 1 | 0 | alcohol; organobromine compound | |
diazoxide | [no description available] | medium | 4 | 0 | benzothiadiazine; organochlorine compound; sulfone | antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent |
nitric acid | [no description available] | medium | 5 | 0 | nitrogen oxoacid | protic solvent; reagent |
hydrochloric acid | [no description available] | medium | 8 | 0 | chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride | mouse metabolite |
aqua regia | [no description available] | medium | 2 | 0 | | |
guanine | [no description available] | medium | 3 | 0 | 2-aminopurines; oxopurine; purine nucleobase | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
oligonucleotides | [no description available] | medium | 1 | 0 | | |
ditiocarb | [no description available] | medium | 16 | 0 | dithiocarbamic acids | chelator; copper chelator |
cytochrome c-t | [no description available] | medium | 4 | 0 | | |
deferoxamine | [no description available] | medium | 6 | 0 | acyclic desferrioxamine | bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore |
triazoles | [no description available] | medium | 4 | 0 | 1,2,3-triazole | |
technetium tc 99m sestamibi | [no description available] | medium | 75 | 11 | | |
imidazole | [no description available] | medium | 2 | 0 | imidazole | |
ubiquinone | [no description available] | medium | 3 | 1 | | |
ubiquinone q2 | [no description available] | medium | 1 | 0 | ubiquinones | |
glucuronic acid | [no description available] | medium | 1 | 0 | D-glucuronic acid | algal metabolite |
dimercaprol | [no description available] | medium | 33 | 0 | dithiol; primary alcohol | chelator |
silicon | [no description available] | medium | 7 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
iodine | [no description available] | medium | 11 | 0 | diatomic iodine | nutrient |
adenosine diphosphate | [no description available] | medium | 10 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | fundamental metabolite; human metabolite |
2,4-dinitrophenol | [no description available] | medium | 6 | 0 | dinitrophenol | allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor |
cyclosporine | [no description available] | medium | 4 | 0 | | |
technetium tc-99m tetrofosmin | [no description available] | medium | 25 | 4 | | |
pyrroles | [no description available] | medium | 4 | 1 | pyrrole; secondary amine | |
glutamic acid | [no description available] | medium | 8 | 0 | glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical |
3,4-dicarboxyphenylglycine | [no description available] | medium | 1 | 0 | | |
vu0155094 | [no description available] | medium | 1 | 0 | | |
vu0422288 | [no description available] | medium | 1 | 0 | | |
coenzyme q10 | [no description available] | medium | 2 | 1 | ubiquinones | antioxidant; ferroptosis inhibitor; human metabolite |
atorvastatin | [no description available] | medium | 1 | 1 | aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic) | environmental contaminant; xenobiotic |
fluorobenzenes | [no description available] | medium | 1 | 1 | monofluorobenzenes | NMR chemical shift reference compound |
natriuretic peptide, brain | [no description available] | medium | 1 | 1 | polypeptide | |
pyrogallol | [no description available] | medium | 3 | 0 | benzenetriol; phenolic donor | plant metabolite |
calixarenes | [no description available] | medium | 8 | 0 | | |
choline | [no description available] | medium | 8 | 0 | cholines | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite |
fluorocholine | [no description available] | medium | 1 | 0 | | |
5-hydroxydecanoate | [no description available] | medium | 1 | 0 | medium-chain fatty acid | |
pinacidil | [no description available] | medium | 1 | 0 | pyridines | |
veratridine | [no description available] | medium | 1 | 0 | | |
oxalates | [no description available] | medium | 4 | 0 | | |
potassium nitrate | [no description available] | medium | 2 | 0 | inorganic nitrate salt; potassium salt | fertilizer |
malic acid | [no description available] | medium | 2 | 0 | 2-hydroxydicarboxylic acid; C4-dicarboxylic acid | food acidity regulator; fundamental metabolite |
sucrose | [no description available] | medium | 4 | 0 | glycosyl glycoside | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent |
nitrates | [no description available] | medium | 20 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
dizocilpine maleate | [no description available] | medium | 2 | 0 | maleate salt; tetracyclic antidepressant | anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist |
1,2-oleoylphosphatidylcholine | [no description available] | medium | 2 | 0 | phosphatidylcholine(1+) | |
thioctic acid | [no description available] | medium | 1 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
phosphatidylcholines | [no description available] | medium | 7 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
astatine | [no description available] | medium | 1 | 0 | elemental astatine | |
francium | [no description available] | medium | 1 | 0 | alkali metal atom | |
actinium | [no description available] | medium | 7 | 0 | actinoid atom; f-block element atom; scandium group element atom | |
protactinium | [no description available] | medium | 1 | 0 | actinoid atom; f-block element atom | |
isoflurane | [no description available] | medium | 1 | 0 | organofluorine compound | inhalation anaesthetic |
lead sulfide | [no description available] | medium | 1 | 0 | | |
1-hydroxypyrene | [no description available] | medium | 1 | 0 | pyrenes | |
neodymium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
ammonium nitrate | [no description available] | medium | 2 | 0 | ammonium salt; inorganic molecular entity; inorganic nitrate salt | explosive; fertilizer; oxidising agent |
phosphine | [no description available] | medium | 1 | 0 | mononuclear parent hydride; phosphanes; phosphine | carcinogenic agent; fumigant insecticide |
pyrimidine | [no description available] | medium | 1 | 0 | diazine; pyrimidines | Daphnia magna metabolite |
1-butanol | [no description available] | medium | 1 | 0 | alkyl alcohol; primary alcohol; short-chain primary fatty alcohol | human metabolite; mouse metabolite; protic solvent |
methionine | [no description available] | medium | 10 | 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 |
cystine | [no description available] | medium | 8 | 0 | | |
3-methyl-2-benzothiazolone hydrazone | [no description available] | medium | 1 | 0 | | |
n-(1-naphthyl)ethylenediamine | [no description available] | medium | 1 | 0 | N-substituted diamine | |
benzofurans | [no description available] | medium | 4 | 0 | | |
norfloxacin | [no description available] | medium | 1 | 0 | fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone | antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic |
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 |
ofloxacin | [no description available] | medium | 1 | 0 | 3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline | |
hydrofluoric acid | [no description available] | medium | 2 | 0 | hydrogen halide; mononuclear parent hydride | NMR chemical shift reference compound |
ethylene glycol | [no description available] | medium | 1 | 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 |
calcium gluconate | [no description available] | medium | 1 | 0 | calcium salt | nutraceutical |
vancomycin | [no description available] | medium | 1 | 0 | glycopeptide | antibacterial drug; antimicrobial agent; bacterial metabolite |
dicyclohexyl-18-crown-6 | [no description available] | medium | 1 | 0 | | |
thorium | [no description available] | medium | 11 | 0 | actinoid atom; f-block element atom | |
hydrogen | [no description available] | medium | 6 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
dimethyl sulfoxide | [no description available] | medium | 4 | 0 | sulfoxide; volatile organic compound | alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger |
aspartic acid | [no description available] | medium | 5 | 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 | 19 | 0 | chlorobenzoic acid; furans; sulfonamide | environmental contaminant; loop diuretic; xenobiotic |
tyrosine | [no description available] | medium | 6 | 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 |
viroxime | [no description available] | medium | 1 | 0 | | |
carmustine | [no description available] | medium | 1 | 1 | N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
phenyl acetate | [no description available] | medium | 24 | 0 | benzenes; phenyl acetates | |
staurosporine | [no description available] | medium | 1 | 0 | ammonium ion derivative | |
ethylmaleimide | [no description available] | medium | 3 | 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 |
((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy)acetic acid | [no description available] | medium | 1 | 0 | | |
uridine diphosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
warfarin | [no description available] | medium | 5 | 0 | benzenes; hydroxycoumarin; methyl ketone | |
fluoxetine | [no description available] | medium | 1 | 0 | (trifluoromethyl)benzenes; aromatic ether; secondary amino compound | |
glycerophosphoinositol 4,5-bisphosphate | [no description available] | medium | 1 | 0 | | |
4-butyrolactone | [no description available] | medium | 1 | 0 | butan-4-olide | metabolite; neurotoxin |
bakkenolide a | [no description available] | medium | 1 | 0 | sesquiterpenoid | |
sesquiterpenes | [no description available] | medium | 1 | 0 | | |
aurone | [no description available] | medium | 1 | 0 | aurones; cyclic ketone | |
gallium citrate | [no description available] | medium | 17 | 1 | | |
cupric ferrocyanide | [no description available] | medium | 2 | 0 | | |
cotinine | [no description available] | medium | 1 | 0 | N-alkylpyrrolidine; pyridines; pyrrolidin-2-ones; pyrrolidine alkaloid | antidepressant; biomarker; human xenobiotic metabolite; plant metabolite |
3-hydroxybutyric acid | [no description available] | medium | 1 | 0 | (omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid | human metabolite |
hippuric acid | [no description available] | medium | 1 | 0 | N-acylglycine | human blood serum metabolite; uremic toxin |
trimethylamine | [no description available] | medium | 1 | 0 | methylamines; tertiary amine | Escherichia coli metabolite; human xenobiotic metabolite |
taurine | [no description available] | medium | 1 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
chlorophyll a | [no description available] | medium | 2 | 0 | chlorophyll; methyl ester | cofactor |
germanium | [no description available] | medium | 5 | 0 | carbon group element atom; metalloid atom; nonmetal atom | |
bismuth germanium oxide | [no description available] | medium | 1 | 0 | | |
trifluoroacetic acid | [no description available] | medium | 7 | 0 | fluoroalkanoic acid | human xenobiotic metabolite; NMR chemical shift reference compound; reagent |
ezogabine | [no description available] | medium | 1 | 0 | carbamate ester; organofluorine compound; secondary amino compound; substituted aniline | anticonvulsant; potassium channel modulator |
carbamates | [no description available] | medium | 4 | 0 | amino-acid anion | |
nad | [no description available] | medium | 3 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
2-naphthoxyacetic acid | [no description available] | medium | 1 | 0 | naphthyloxyacetic acid | |
1-naphthaleneacetic acid | [no description available] | medium | 1 | 0 | naphthylacetic acid | synthetic auxin |
sodium sulfite | [no description available] | medium | 2 | 0 | inorganic sodium salt; sulfite salt | food preservative; reducing agent |
sodium dodecyl sulfate | [no description available] | medium | 2 | 0 | organic sodium salt | detergent; protein denaturant |
methylene chloride | [no description available] | medium | 1 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
sulfites | [no description available] | medium | 2 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | |
cycloheximide | [no description available] | medium | 1 | 0 | antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol | anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor |
potassium chloride | [no description available] | medium | 23 | 0 | inorganic chloride; inorganic potassium salt; potassium salt | fertilizer |
homocysteine | [no description available] | medium | 1 | 0 | amino acid zwitterion; homocysteine; serine family amino acid | fundamental metabolite; mouse metabolite |
penicillamine | [no description available] | medium | 15 | 0 | non-proteinogenic alpha-amino acid; penicillamine | antirheumatic drug; chelator; copper chelator; drug allergen |
3,4-dihydroxyphenylacetic acid | [no description available] | medium | 1 | 0 | catechols; dihydroxyphenylacetic acid | human metabolite |
levodopa | [no description available] | medium | 2 | 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 |
haloperidol | [no description available] | medium | 2 | 0 | aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol | antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist |
oxidopamine | [no description available] | medium | 1 | 0 | benzenetriol; catecholamine; primary amino compound | drug metabolite; human metabolite; neurotoxin |
n-(3-chlorophenyl)picolinamide | [no description available] | medium | 1 | 0 | | |
methanol | [no description available] | medium | 7 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
1-hexyl-3-methylimidazolium | [no description available] | medium | 1 | 0 | 1-alkyl-3-methylimidazolium | |
trihexyltetradecylphosphonium chloride | [no description available] | medium | 1 | 0 | | |
agar | [no description available] | medium | 7 | 0 | | |
pepstatin | [no description available] | medium | 1 | 0 | pentapeptide; secondary carboxamide | bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor |
2,2,4-trimethylpentane | [no description available] | medium | 1 | 0 | alkane; volatile organic compound | fuel additive; nephrotoxin; non-polar solvent |
octane | [no description available] | medium | 1 | 0 | alkane | xenobiotic |
azaspiracid | [no description available] | medium | 1 | 0 | | |
yttrium radioisotopes | [no description available] | medium | 5 | 0 | | |
pyridine | [no description available] | medium | 1 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
senicapoc | [no description available] | medium | 1 | 0 | | |
silver nitrate | [no description available] | medium | 2 | 0 | inorganic nitrate salt; silver salt | astringent |
sodium pertechnetate tc 99m | [no description available] | medium | 82 | 1 | | |
dobutamine | [no description available] | medium | 18 | 3 | catecholamine; secondary amine | beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent |
hydralazine | [no description available] | medium | 3 | 0 | azaarene; hydrazines; ortho-fused heteroarene; phthalazines | antihypertensive agent; vasodilator agent |
toluene | [no description available] | medium | 2 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
salicylates | [no description available] | medium | 2 | 0 | monohydroxybenzoate | plant metabolite |
caffeine | [no description available] | medium | 1 | 1 | purine alkaloid; trimethylxanthine | adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic |
technetium tc 99m depreotide | [no description available] | medium | 2 | 0 | | |
iodipamide | [no description available] | medium | 2 | 0 | benzoic acids; organoiodine compound; secondary carboxamide | radioopaque medium |
meglumine iodipamide | [no description available] | medium | 1 | 0 | organoammonium salt | radioopaque medium |
3-iodobenzylguanidine | [no description available] | medium | 24 | 3 | organoiodine compound | |
nitroglycerin | [no description available] | medium | 27 | 6 | nitroglycerol | explosive; muscle relaxant; nitric oxide donor; prodrug; tocolytic agent; vasodilator agent; xenobiotic |
thyroxine | [no description available] | medium | 4 | 0 | 2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine | antithyroid drug; human metabolite; mouse metabolite; thyroid hormone |
trifluoperazine | [no description available] | medium | 1 | 0 | N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines | antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug |
technetium tc 99m medronate | [no description available] | medium | 20 | 4 | | |
technetium tc 99m hydroxymethylene diphosphonate | [no description available] | medium | 10 | 4 | | |
adenosine | [no description available] | medium | 17 | 2 | adenosines; purines D-ribonucleoside | analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent |
atropine | [no description available] | medium | 5 | 0 | | |
acetonitrile | [no description available] | medium | 1 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
triethylamine | [no description available] | medium | 1 | 0 | tertiary amine | |
calix(4)arene | [no description available] | medium | 1 | 0 | | |
gramicidin a | [no description available] | medium | 22 | 0 | | |
zirconium | [no description available] | medium | 9 | 0 | titanium group element atom | |
succimer | [no description available] | medium | 5 | 0 | dicarboxylic acid; dithiol; sulfur-containing carboxylic acid | chelator |
carbon-11 methionine | [no description available] | medium | 1 | 0 | | |
3-iodo-alpha-methyltyrosine | [no description available] | medium | 1 | 0 | | |
potassium iodide | [no description available] | medium | 3 | 0 | potassium salt | expectorant; radical scavenger |
diphenylcarbazide | [no description available] | medium | 1 | 0 | phenylhydrazines | |
p-aminoazobenzene | [no description available] | medium | 1 | 0 | | |
etoposide | [no description available] | medium | 2 | 1 | beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound | antineoplastic agent; DNA synthesis inhibitor |
3-methylcholanthrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | aryl hydrocarbon receptor agonist; carcinogenic agent |
benz(a)anthracene | [no description available] | medium | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | |
thiourea | [no description available] | medium | 4 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
alpha-naphthyl thiourea | [no description available] | medium | 2 | 0 | naphthalenes | |
fluoroacetic acid | [no description available] | medium | 1 | 0 | haloacetic acid; organofluorine compound | EC 4.2.1.3 (aconitate hydratase) inhibitor |
c.i. 42510 | [no description available] | medium | 4 | 0 | | |
gentian violet | [no description available] | medium | 4 | 0 | organic chloride salt | anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye |
cortisone | [no description available] | medium | 5 | 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 |
tricalcium phosphate | [no description available] | medium | 3 | 0 | calcium phosphate | |
cysteamine | [no description available] | medium | 1 | 0 | amine; thiol | geroprotector; human metabolite; mouse metabolite; radiation protective agent |
thioacetamide | [no description available] | medium | 2 | 0 | thiocarboxamide | hepatotoxic agent |
histamine | [no description available] | medium | 2 | 0 | aralkylamino compound; imidazoles | human metabolite; mouse metabolite; neurotransmitter |
naphthalene | [no description available] | medium | 2 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
strychnine | [no description available] | medium | 8 | 0 | monoterpenoid indole alkaloid; organic heteroheptacyclic compound | avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide |
retinol | [no description available] | medium | 10 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
thiamine | [no description available] | medium | 3 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
diethylstilbestrol | [no description available] | medium | 1 | 0 | olefinic compound; polyphenol | antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen |
dihydrotachysterol | [no description available] | medium | 1 | 0 | | |
histidine | [no description available] | medium | 3 | 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 |
dithizone | [no description available] | medium | 4 | 0 | | |
griseofulvin | [no description available] | medium | 3 | 0 | 1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound | antibacterial agent; Penicillium metabolite |
ethylene | [no description available] | medium | 1 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
parathion | [no description available] | medium | 5 | 0 | C-nitro compound; organic thiophosphate; organothiophosphate insecticide | acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite |
quinine | [no description available] | medium | 1 | 0 | cinchona alkaloid | antimalarial; muscle relaxant; non-narcotic analgesic |
rhodamine b | [no description available] | medium | 3 | 0 | organic chloride salt; xanthene dye | fluorescent probe; fluorochrome; histological dye |
scopolamine hydrobromide | [no description available] | medium | 1 | 0 | | |
cocaine | [no description available] | medium | 5 | 0 | benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid | adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic |
nicotine | [no description available] | medium | 2 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
cyanides | [no description available] | medium | 11 | 0 | pseudohalide anion | EC 1.9.3.1 (cytochrome c oxidase) inhibitor |
triparanol | [no description available] | medium | 3 | 0 | stilbenoid | anticoronaviral agent |
bromochloroacetic acid | [no description available] | medium | 1 | 0 | 2-bromocarboxylic acid; monocarboxylic acid; organochlorine compound | |
sodium carbonate | [no description available] | medium | 2 | 0 | carbonate salt; organic sodium salt | |
azides | [no description available] | medium | 9 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
vitamin b 12 | [no description available] | medium | 2 | 0 | | |
magnesium sulfate | [no description available] | medium | 2 | 0 | magnesium salt; metal sulfate; organic magnesium salt | anaesthetic; analgesic; anti-arrhythmia drug; anticonvulsant; calcium channel blocker; cardiovascular drug; fertilizer; tocolytic agent |
cysteine | [no description available] | medium | 7 | 0 | cysteinium | fundamental metabolite |
phenylhydrazine | [no description available] | medium | 1 | 0 | phenylhydrazines | xenobiotic |
cyanates | [no description available] | medium | 2 | 0 | | |
fluorides | [no description available] | medium | 10 | 0 | halide anion; monoatomic fluorine | |
aminopyrine | [no description available] | medium | 2 | 0 | pyrazolone; tertiary amino compound | antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
streptomycin | [no description available] | medium | 3 | 0 | antibiotic antifungal drug; antibiotic fungicide; streptomycins | antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor |
vitamin k semiquinone radical | [no description available] | medium | 4 | 0 | | |
mephenesin | [no description available] | medium | 1 | 0 | aromatic ether; glycerol ether | |
aminopterin | [no description available] | medium | 1 | 0 | dicarboxylic acid | EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen |
colchicine | [no description available] | medium | 3 | 0 | alkaloid; colchicine | anti-inflammatory agent; gout suppressant; mutagen |
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 |
phosphoric acid | [no description available] | medium | 1 | 0 | phosphoric acids | algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent |
thiouracil | [no description available] | medium | 3 | 0 | nucleobase analogue; thiocarbonyl compound | antithyroid drug; metabolite |
propylthiouracil | [no description available] | medium | 2 | 0 | pyrimidinethione | antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist |
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 |
prednisolone | [no description available] | medium | 4 | 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 |
sodium bicarbonate | [no description available] | medium | 1 | 1 | one-carbon compound; organic sodium salt | antacid; food anticaking agent |
indium trichloride | [no description available] | medium | 1 | 1 | | |
hydrogen sulfide | [no description available] | medium | 1 | 0 | gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride | Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent |
thymine | [no description available] | medium | 1 | 0 | pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite |
palladium | [no description available] | medium | 9 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
dehydroepiandrosterone | [no description available] | medium | 1 | 0 | 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid | androgen; human metabolite; mouse metabolite |
dehydroepiandrosterone acetate | [no description available] | medium | 1 | 0 | steroid ester | |
n-acetylaspartic acid | [no description available] | medium | 1 | 0 | N-acetyl-L-amino acid; N-acyl-L-aspartic acid | antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite |
gadolinium dtpa | [no description available] | medium | 3 | 0 | gadolinium coordination entity | MRI contrast agent |
ascorbic acid | [no description available] | medium | 4 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
palmitoyl coenzyme a | [no description available] | medium | 1 | 0 | 11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate | Escherichia coli metabolite; mouse metabolite |
guanosine diphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
carbonyl cyanide m-chlorophenyl hydrazone | [no description available] | medium | 2 | 0 | hydrazone; monochlorobenzenes; nitrile | antibacterial agent; geroprotector; ionophore |
rotenone | [no description available] | medium | 4 | 0 | organic heteropentacyclic compound; rotenones | antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin |
cumene hydroperoxide | [no description available] | medium | 1 | 0 | peroxol | environmental contaminant; Mycoplasma genitalium metabolite; oxidising agent |
glutathione disulfide | [no description available] | medium | 1 | 0 | glutathione derivative; organic disulfide | Escherichia coli metabolite; mouse metabolite |
nadp | [no description available] | medium | 3 | 0 | | |
aminophylline | [no description available] | medium | 6 | 0 | mixture | bronchodilator agent; cardiotonic drug |
dimethylformamide | [no description available] | medium | 2 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
5-(3-aminopropyl)-2'-deoxyuridine | [no description available] | medium | 1 | 0 | | |
spermine | [no description available] | medium | 1 | 0 | polyazaalkane; tetramine | antioxidant; fundamental metabolite; immunosuppressive agent |
deoxyuridine | [no description available] | medium | 2 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
nitrogenase | [no description available] | medium | 1 | 0 | | |
nonactin | [no description available] | medium | 4 | 0 | | |
carbene | [no description available] | medium | 1 | 0 | carbene; methanediyl | |
adenosine monophosphate | [no description available] | medium | 3 | 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 |
iofetamine | [no description available] | medium | 8 | 0 | | |
titanium dioxide | [no description available] | medium | 1 | 0 | titanium oxides | food colouring |
tribenzylamine | [no description available] | medium | 1 | 0 | | |
deoxyglucose | [no description available] | medium | 8 | 0 | | |
transferrin | [no description available] | medium | 4 | 0 | | |
triphenylphosphine | [no description available] | medium | 1 | 0 | benzenes; tertiary phosphine | NMR chemical shift reference compound; reducing agent |
2,3,4,6-tetrachlorophenol | [no description available] | medium | 1 | 0 | tetrachlorophenol | xenobiotic metabolite |
indoline | [no description available] | medium | 1 | 0 | indoles | |
chloropeptin i | [no description available] | medium | 1 | 0 | | |
aluminum oxide | [no description available] | medium | 3 | 0 | | |
1,2-cyclohexanediamine | [no description available] | medium | 1 | 0 | primary aliphatic amine | |
deferiprone | [no description available] | medium | 1 | 0 | 4-pyridones | iron chelator; protective agent |
thiazolyl blue | [no description available] | medium | 1 | 0 | organic bromide salt | colorimetric reagent; dye |
thiazoles | [no description available] | medium | 2 | 0 | 1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
simendan | [no description available] | medium | 1 | 0 | | |
amiodarone | [no description available] | medium | 1 | 0 | 1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound | cardiovascular drug |
oxyquinoline | [no description available] | medium | 4 | 0 | monohydroxyquinoline | antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator |
5,6-dichloro-1-ethyl-1,3-dihydro-2h-benzimidazol-2-one | [no description available] | medium | 1 | 0 | dichlorobenzene | |
1-ethyl-2-benzimidazolinone | [no description available] | medium | 1 | 0 | imidazoles | |
cobamamide | [no description available] | medium | 1 | 0 | | |
stannic oxide | [no description available] | medium | 1 | 0 | tin oxide | |
phenol | [no description available] | medium | 1 | 0 | phenols | antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite |
1,2-dihydronaphthalene | [no description available] | medium | 1 | 0 | dihydronaphthalene | |
hematoxylin | [no description available] | medium | 1 | 0 | organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol | histological dye; plant metabolite |
eosine yellowish-(ys) | [no description available] | medium | 1 | 0 | organic sodium salt; organobromine compound | fluorochrome; histological dye |
carbachol | [no description available] | medium | 6 | 0 | ammonium salt; carbamate ester | cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic |
ly 341495 | [no description available] | medium | 1 | 0 | | |
xanthenes | [no description available] | medium | 3 | 0 | xanthene | |
corticosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone | human metabolite; mouse metabolite |
krypton | [no description available] | medium | 14 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
propranolol | [no description available] | medium | 32 | 2 | naphthalenes; propanolamine; secondary amine | anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic |
pyrophosphate | [no description available] | medium | 101 | 0 | diphosphate ion | |
gamma-aminobutyric acid | [no description available] | medium | 2 | 0 | amino acid zwitterion; gamma-amino acid; monocarboxylic acid | human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule |
digoxin | [no description available] | medium | 6 | 0 | cardenolide glycoside; steroid saponin | anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope |
theophylline | [no description available] | medium | 2 | 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 |
isosorbide dinitrate | [no description available] | medium | 6 | 1 | glucitol derivative; nitrate ester | nitric oxide donor; vasodilator agent |
xenon radioisotopes | [no description available] | medium | 15 | 0 | | |
selenomethionine | [no description available] | medium | 4 | 0 | selenoamino acid; selenomethionines | plant metabolite |
americium | [no description available] | medium | 4 | 0 | actinoid atom; f-block element atom | |
triphenyltetrazolium | [no description available] | medium | 4 | 0 | organic cation | |
trifluoroethanol | [no description available] | medium | 1 | 0 | fluoroalcohol | |
bepridil | [no description available] | medium | 1 | 0 | pyrrolidines; tertiary amine | anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent |
nifedipine | [no description available] | medium | 11 | 7 | C-nitro compound; dihydropyridine; methyl ester | calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent |
verapamil | [no description available] | medium | 5 | 0 | aromatic ether; nitrile; polyether; tertiary amino compound | |
diltiazem | [no description available] | medium | 1 | 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 |
1,3,6,8-pyrene tetrasulfonate | [no description available] | medium | 1 | 0 | | |
canrenoic acid | [no description available] | medium | 2 | 0 | 3-oxo-Delta(4) steroid; monocarboxylic acid; steroid acid | |
thymidine | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside | Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite |
cadmium telluride | [no description available] | medium | 1 | 0 | | |
margaric acid | [no description available] | medium | 5 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; mammalian metabolite |
thromboxane b2 | [no description available] | medium | 1 | 0 | thromboxanes B | human metabolite; mouse metabolite |
tetracycline | [no description available] | medium | 4 | 0 | | |
promethium | [no description available] | medium | 9 | 0 | f-block element atom; lanthanoid atom | |
technetium tc 99m stannous pyrophosphate | [no description available] | medium | 8 | 0 | | |
diatrizoate meglumine | [no description available] | medium | 3 | 0 | monocarboxylic acid anion | radioopaque medium |
urografin 76 | [no description available] | medium | 1 | 0 | | |
diatrizoic acid | [no description available] | medium | 1 | 0 | acetamides; benzoic acids; organoiodine compound | environmental contaminant; radioopaque medium; xenobiotic |
argon | [no description available] | medium | 2 | 0 | monoatomic argon; noble gas atom; p-block element atom | food packaging gas; neuroprotective agent |
technetium tc 99m pentetate | [no description available] | medium | 4 | 0 | | |
4-aminopyridine | [no description available] | medium | 3 | 0 | aminopyridine; aromatic amine | avicide; orphan drug; potassium channel blocker |
guanidine | [no description available] | medium | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
alpha-aminopyridine | [no description available] | medium | 2 | 0 | | |
synthalin a | [no description available] | medium | 1 | 0 | guanidines | hepatotoxic agent; hypoglycemic agent; nephrotoxin |
dithiothreitol | [no description available] | medium | 1 | 0 | 1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol | chelator; human metabolite; reducing agent |
heme | [no description available] | medium | 1 | 0 | | |
prazosin | [no description available] | medium | 1 | 0 | aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
captopril | [no description available] | medium | 2 | 0 | alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid | antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
azathioprine | [no description available] | medium | 2 | 0 | aryl sulfide; C-nitro compound; imidazoles; thiopurine | antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug |
prednisone | [no description available] | medium | 1 | 0 | 11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug |
17-iodoheptadecanoic acid | [no description available] | medium | 4 | 0 | | |
potassium iron(iii) hexacyanoferrate (ii) | [no description available] | medium | 1 | 0 | | |
ytterbium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
ergonovine | [no description available] | medium | 8 | 0 | ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound | diagnostic agent; fungal metabolite; oxytocic; toxin |
plutonium | [no description available] | medium | 1 | 0 | actinoid atom; f-block element atom | |
sodium iodate | [no description available] | medium | 1 | 0 | organic molecular entity | |
phosphocreatine | [no description available] | medium | 1 | 0 | phosphagen; phosphoamino acid | human metabolite; mouse metabolite |
clidinium | [no description available] | medium | 1 | 0 | diarylmethane | |
dihydroalprenolol | [no description available] | medium | 1 | 0 | | |
omega-(4-iodophenyl)pentadecanoic acid | [no description available] | medium | 2 | 0 | | |
alprostadil | [no description available] | medium | 1 | 0 | prostaglandins E | anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent |
arsenic trioxide | [no description available] | medium | 2 | 0 | | |
methamidophos | [no description available] | medium | 1 | 0 | organic thiophosphate; organothiophosphate insecticide; phosphoramide | acaricide; agrochemical; avicide |
nitroblue tetrazolium | [no description available] | medium | 4 | 0 | organic cation | |
vasotocin | [no description available] | medium | 1 | 0 | | |
pituitrin | [no description available] | medium | 2 | 0 | | |
pindolol | [no description available] | medium | 1 | 0 | indoles; secondary amine | antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent |
lidoflazine | [no description available] | medium | 2 | 2 | diarylmethane | |
arginine | [no description available] | medium | 3 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
tiapamil hydrochloride | [no description available] | medium | 2 | 1 | | |
gentamicin | [no description available] | medium | 3 | 0 | | |
metaraminol | [no description available] | medium | 1 | 0 | phenylethanolamines | alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent |
valinomycin | [no description available] | medium | 13 | 0 | cyclodepsipeptide; macrocycle | antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore |
triphenylmethylphosphonium | [no description available] | medium | 1 | 0 | | |
grisorixin | [no description available] | medium | 5 | 0 | | |
nigericin | [no description available] | medium | 6 | 0 | polycyclic ether | antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore |
dicyclohexylcarbodiimide | [no description available] | medium | 1 | 0 | carbodiimide | ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent |
inosine | [no description available] | medium | 1 | 0 | inosines; purines D-ribonucleoside | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
pentaerythritol tetranitrate | [no description available] | medium | 1 | 0 | pentaerythritol nitrate | explosive; vasodilator agent |
dihydralazine | [no description available] | medium | 1 | 0 | phthalazines | |
phenylephrine | [no description available] | medium | 1 | 0 | phenols; phenylethanolamines; secondary amino compound | alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent |
isoproterenol | [no description available] | medium | 3 | 0 | catechols; secondary alcohol; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent |
norethindrone | [no description available] | medium | 1 | 0 | 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol | progestin; synthetic oral contraceptive |
amphetamine | [no description available] | medium | 2 | 0 | primary amine | |
strophanthidin | [no description available] | medium | 2 | 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 |
scandium | [no description available] | medium | 1 | 0 | d-block element atom; rare earth metal atom; scandium group element atom | |
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 |
cardiovascular agents | [no description available] | medium | 3 | 1 | | |
dilazep | [no description available] | medium | 1 | 0 | benzoate ester; diazepane; diester; methoxybenzenes | cardioprotective agent; platelet aggregation inhibitor; vasodilator agent |
phenytoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione | anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent |
strontium radioisotopes | [no description available] | medium | 8 | 0 | | |
ergotamine | [no description available] | medium | 2 | 0 | peptide ergot alkaloid | alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent |
acebutolol | [no description available] | medium | 1 | 0 | aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound | anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent |
fluorine | [no description available] | medium | 6 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
reserpine | [no description available] | medium | 1 | 0 | alkaloid ester; methyl ester; yohimban alkaloid | adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic |
penicillin g | [no description available] | medium | 4 | 0 | penicillin allergen; penicillin | antibacterial drug; drug allergen; epitope |
hydroxyindoleacetic acid | [no description available] | medium | 1 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
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 |
bupivacaine | [no description available] | medium | 1 | 0 | aromatic amide; piperidinecarboxamide; tertiary amino compound | |
bumetanide | [no description available] | medium | 4 | 0 | amino acid; benzoic acids; sulfonamide | diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor |
malonic acid | [no description available] | medium | 7 | 0 | alpha,omega-dicarboxylic acid | human metabolite |
phytic acid | [no description available] | medium | 1 | 0 | inositol phosphate | |
veratryl alcohol | [no description available] | medium | 1 | 0 | benzyl alcohols; dimethoxybenzene; primary alcohol | fungal metabolite |
4-methoxymandelic acid | [no description available] | medium | 1 | 0 | | |
acrylamide | [no description available] | medium | 2 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
technetium tc 99m dimercaptosuccinic acid | [no description available] | medium | 3 | 0 | | |
cadmium chloride | [no description available] | medium | 3 | 0 | cadmium coordination entity | |
lead nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt; lead coordination entity | |
mercuric chloride | [no description available] | medium | 2 | 0 | mercury coordination entity | sensitiser |
cupric chloride | [no description available] | medium | 1 | 0 | copper molecular entity; inorganic chloride | EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor |
neutral red | [no description available] | medium | 1 | 0 | hydrochloride | acid-base indicator; dye; two-colour indicator |
ethylnitrosourea | [no description available] | medium | 1 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; genotoxin; mutagen |
lead chloride | [no description available] | medium | 1 | 0 | inorganic chloride; lead coordination entity | |
lead radioisotopes | [no description available] | medium | 1 | 0 | | |
chromium | [no description available] | medium | 1 | 0 | chromium cation; monoatomic hexacation | |
carbon monoxide | [no description available] | medium | 2 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
metyrapone | [no description available] | medium | 1 | 0 | aromatic ketone | antimetabolite; diagnostic agent; EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor |
2-hydroxy-5-nitrobenzyl bromide | [no description available] | medium | 1 | 0 | | |
tryptophan | [no description available] | medium | 3 | 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 |
methotrexate | [no description available] | medium | 2 | 0 | dicarboxylic acid; monocarboxylic acid amide; pteridines | abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent |
phosphorus radioisotopes | [no description available] | medium | 3 | 0 | | |
cobrotoxin | [no description available] | medium | 1 | 0 | | |
acetylcysteine | [no description available] | medium | 4 | 1 | acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid | antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary |
serine | [no description available] | medium | 2 | 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 | 2 | 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 |
(s-acetamidomethyl)cysteine | [no description available] | medium | 1 | 0 | | |
nimustine | [no description available] | medium | 2 | 0 | aminopyrimidine; N-nitrosoureas; organochlorine compound | alkylating agent; antineoplastic agent |
3-nitrotyrosine | [no description available] | medium | 1 | 0 | 2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid | |
technetium tc 99m bicisate | [no description available] | medium | 1 | 0 | | |
5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate | [no description available] | medium | 1 | 0 | | |
lamotrigine | [no description available] | medium | 1 | 0 | 1,2,4-triazines; dichlorobenzene; primary arylamine | anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic |
phenyl-n-tert-butylnitrone | [no description available] | medium | 1 | 0 | | |
memantine | [no description available] | medium | 1 | 0 | adamantanes; primary aliphatic amine | antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist |
1-methyl-4-phenylpyridinium | [no description available] | medium | 1 | 0 | pyridinium ion | apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin |
niacinamide | [no description available] | medium | 1 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
3-nitropropionic acid | [no description available] | medium | 1 | 0 | C-nitro compound | antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin |
acrylic acid | [no description available] | medium | 1 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
ethylene dibromide | [no description available] | medium | 1 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
technetium tc 99m exametazime | [no description available] | medium | 4 | 0 | | |
ribose | [no description available] | medium | 1 | 1 | D-ribose; ribopyranose | |
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 |
technetium tc 99m sulfur colloid | [no description available] | medium | 1 | 0 | | |
(dtpa-phe(1))-octreotide | [no description available] | medium | 2 | 0 | | |
aminolevulinic acid | [no description available] | medium | 2 | 0 | 4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid | antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite |
involucrin | [no description available] | medium | 1 | 0 | | |
guanosine triphosphate | [no description available] | medium | 1 | 0 | guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor |
uridine triphosphate | [no description available] | medium | 1 | 0 | pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate | Escherichia coli metabolite; mouse metabolite |
glyburide | [no description available] | medium | 1 | 0 | monochlorobenzenes; N-sulfonylurea | anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent |
cytidine triphosphate | [no description available] | medium | 1 | 0 | cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; mouse metabolite |
inosine triphosphate | [no description available] | medium | 1 | 0 | inosine phosphate; purine ribonucleoside 5'-triphosphate | Escherichia coli metabolite; human metabolite; mouse metabolite |
thymidine 5'-triphosphate | [no description available] | medium | 1 | 0 | pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate | Escherichia coli metabolite; mouse metabolite |
sodium chromate(vi) | [no description available] | medium | 1 | 0 | inorganic sodium salt | carcinogenic agent; diagnostic agent; oxidising agent; poison |
d-alpha tocopherol | [no description available] | medium | 4 | 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 |
chromates | [no description available] | medium | 3 | 0 | chromium oxoanion; divalent inorganic anion | oxidising agent |
6-thioguanosine | [no description available] | medium | 1 | 0 | purine nucleoside | |
guanosine | [no description available] | medium | 1 | 0 | guanosines; purines D-ribonucleoside | fundamental metabolite |
adenine | [no description available] | medium | 2 | 0 | 6-aminopurines; purine nucleobase | Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
nordazepam | [no description available] | medium | 1 | 0 | 1,4-benzodiazepinone; organochlorine compound | anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative |
phenobarbital | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative |
salicylic acid | [no description available] | medium | 7 | 0 | monohydroxybenzoic acid | algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite |
hydroxide ion | [no description available] | medium | 1 | 0 | oxygen hydride | mouse metabolite |
asparagine | [no description available] | medium | 2 | 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 |
alanine | [no description available] | medium | 1 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
buthionine sulfoximine | [no description available] | medium | 1 | 0 | diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer |
ifosfamide | [no description available] | medium | 1 | 0 | ifosfamides | alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic |
epirubicin | [no description available] | medium | 1 | 0 | aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone | antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor |
urea | [no description available] | medium | 6 | 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 |
lactose | [no description available] | medium | 1 | 0 | lactose | |
lactosylurea | [no description available] | medium | 1 | 0 | | |
aluminum sulfate | [no description available] | medium | 1 | 0 | aluminium sulfate | |
cytochalasin b | [no description available] | medium | 1 | 0 | cytochalasin; lactam; lactone; organic heterotricyclic compound | actin polymerisation inhibitor; metabolite; mycotoxin; platelet aggregation inhibitor |
simvastatin | [no description available] | medium | 1 | 1 | delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic) | EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug |
isopulegol | [no description available] | medium | 1 | 0 | p-menthane monoterpenoid | metabolite |
mintlactone | [no description available] | medium | 1 | 0 | | |
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | [no description available] | medium | 1 | 0 | adenosines; dicarboxylic acid monoamide; monocarboxylic acid | adenosine A2A receptor agonist; anti-inflammatory agent |
hexacyanoferrate iii | [no description available] | medium | 1 | 0 | | |
oxazoles | [no description available] | medium | 1 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
unithiol | [no description available] | medium | 1 | 0 | | |
cyclic gmp | [no description available] | medium | 1 | 0 | 3',5'-cyclic purine nucleotide; guanyl ribonucleotide | Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
phosphinothricin | [no description available] | medium | 1 | 0 | organic anion | |
lithium chloride | [no description available] | medium | 1 | 0 | inorganic chloride; lithium salt | antimanic drug; geroprotector |
cesium fluoride | [no description available] | medium | 1 | 0 | | |
2,7,8-trimethyl-2-(beta-carboxyethyl)-6-hydroxychroman | [no description available] | medium | 1 | 0 | benzopyran | antioxidant |
sodium bichromate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
salicylhydroxamic acid | [no description available] | medium | 1 | 0 | hydroxamic acid; phenols | antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug |
sodium perchlorate | [no description available] | medium | 1 | 0 | inorganic sodium salt | |
thiocyanate | [no description available] | medium | 1 | 0 | pseudohalide anion; sulfur molecular entity | human metabolite |
egtazic acid | [no description available] | medium | 3 | 0 | diether; tertiary amino compound; tetracarboxylic acid | chelator |
n,n'-dimethylpropyleneurea | [no description available] | medium | 1 | 0 | | |
1,2-dioleoylphosphatidylserine | [no description available] | medium | 1 | 0 | phosphatidylserine(18:1/18:1) | mouse metabolite |
terbium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
iridium radioisotopes | [no description available] | medium | 1 | 0 | | |
ferric citrate | [no description available] | medium | 1 | 0 | iron chelate | anti-anaemic agent; nutraceutical |
oxolinic acid | [no description available] | medium | 1 | 0 | aromatic carboxylic acid; organic heterotricyclic compound; oxacycle; quinolinemonocarboxylic acid; quinolone antibiotic | antibacterial drug; antifungal agent; antiinfective agent; antimicrobial agent; enzyme inhibitor |
colistin | [no description available] | medium | 1 | 0 | | |
digitonin | [no description available] | medium | 1 | 0 | | |
hydroxyurea | [no description available] | medium | 2 | 0 | one-carbon compound; ureas | antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent |
thiosulfates | [no description available] | medium | 2 | 0 | divalent inorganic anion; sulfur oxide; sulfur oxoanion | human metabolite |
3,3'-diaminobenzidine | [no description available] | medium | 1 | 0 | biphenyls; substituted aniline | histological dye |
hydrazine | [no description available] | medium | 3 | 0 | azane; hydrazines | EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor |
acriflavine | [no description available] | medium | 2 | 0 | | |
pyronine | [no description available] | medium | 1 | 0 | iminium salt; organic chloride salt | histological dye |
acridines | [no description available] | medium | 2 | 0 | acridines; mancude organic heterotricyclic parent; polycyclic heteroarene | genotoxin |
methimazole | [no description available] | medium | 1 | 0 | 1,3-dihydroimidazole-2-thiones | antithyroid drug |
nalidixic acid | [no description available] | medium | 4 | 0 | 1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic | antibacterial drug; antimicrobial agent; DNA synthesis inhibitor |
prodigiosin | [no description available] | medium | 1 | 0 | | |
hexachlorophene | [no description available] | medium | 1 | 0 | bridged diphenyl fungicide; polyphenol; trichlorobenzene | acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug |
triclosan | [no description available] | medium | 1 | 0 | aromatic ether; dichlorobenzene; monochlorobenzenes; phenols | antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic |
pyocyanine | [no description available] | medium | 1 | 0 | iminium betaine; phenazines | antibacterial agent; bacterial metabolite; biological pigment; virulence factor |
spectinomycin | [no description available] | medium | 1 | 0 | cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound | antibacterial drug; antimicrobial agent; bacterial metabolite |
lincomycin | [no description available] | medium | 1 | 0 | carbohydrate-containing antibiotic; L-proline derivative; monocarboxylic acid amide; pyrrolidinecarboxamide; S-glycosyl compound | antimicrobial agent; bacterial metabolite |
kanamycin a | [no description available] | medium | 1 | 0 | kanamycins | bacterial metabolite |
chlortetracycline | [no description available] | medium | 1 | 0 | | |
azomycin | [no description available] | medium | 1 | 0 | C-nitro compound; imidazoles | antitubercular agent |
acid phosphatase | [no description available] | medium | 2 | 0 | | |
cysteic acid | [no description available] | medium | 1 | 0 | alanine derivative; amino sulfonic acid; carboxyalkanesulfonic acid; cysteine derivative; non-proteinogenic alpha-amino acid | animal metabolite |
potassium permanganate | [no description available] | medium | 1 | 0 | | |
pyridoxine | [no description available] | medium | 3 | 0 | hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
cholecalciferol | [no description available] | medium | 2 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
nitrofurantoin | [no description available] | medium | 2 | 0 | imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic | antibacterial drug; antiinfective agent; hepatotoxic agent |
isoniazid | [no description available] | medium | 6 | 0 | carbohydrazide | antitubercular agent; drug allergen |
triiodothyronine | [no description available] | medium | 3 | 0 | 2-halophenol; amino acid zwitterion; iodophenol; iodothyronine | human metabolite; mouse metabolite; thyroid hormone |
tetraethyl lead | [no description available] | medium | 2 | 0 | organolead compound | |
2-methylpentane | [no description available] | medium | 1 | 0 | alkane | |
veratrine | [no description available] | medium | 2 | 0 | alkaloid | |
saxitoxin | [no description available] | medium | 2 | 0 | alkaloid; carbamate ester; guanidines; ketone hydrate; paralytic shellfish toxin; pyrrolopurine | cyanotoxin; marine metabolite; neurotoxin; sodium channel blocker; toxin |
tetrodotoxin | [no description available] | medium | 4 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
lidocaine | [no description available] | medium | 2 | 0 | benzenes; monocarboxylic acid amide; tertiary amino compound | anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic |
phenylalanine | [no description available] | medium | 4 | 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 |
anisomycin | [no description available] | medium | 1 | 0 | monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic | anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor |
carbon disulfide | [no description available] | medium | 2 | 0 | one-carbon compound; organosulfur compound | |
triamterene | [no description available] | medium | 2 | 0 | pteridines | diuretic; sodium channel blocker |
cinnarizine | [no description available] | medium | 1 | 0 | diarylmethane; N-alkylpiperazine; olefinic compound | anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist |
thorium dioxide | [no description available] | medium | 7 | 0 | thorium molecular entity | |
ethacrynic acid | [no description available] | medium | 1 | 0 | aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid | EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic |
ammonium chloride | [no description available] | medium | 4 | 0 | ammonium salt; inorganic chloride | ferroptosis inhibitor |
monensin | [no description available] | medium | 1 | 0 | cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal | antifungal agent; coccidiostat; ionophore |
deuterium | [no description available] | medium | 1 | 0 | dihydrogen | |
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 |
meprobamate | [no description available] | medium | 1 | 0 | organic molecular entity | |
methaqualone | [no description available] | medium | 1 | 0 | quinazolines | GABA agonist; sedative |
disulfiram | [no description available] | medium | 2 | 0 | organic disulfide; organosulfur acaricide | angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor |
sulfur dioxide | [no description available] | medium | 1 | 0 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
ddt | [no description available] | medium | 4 | 0 | benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide | bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant |
thalidomide | [no description available] | medium | 2 | 0 | phthalimides; piperidones | |
1,7-phenanthroline | [no description available] | medium | 1 | 0 | phenanthroline | |
dieldrin | [no description available] | medium | 1 | 0 | epoxide; organochlorine compound; organochlorine insecticide | carcinogenic agent; xenobiotic |
hydrogen carbonate | [no description available] | medium | 2 | 0 | carbon oxoanion | cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
chlormerodrin | [no description available] | medium | 1 | 0 | organomercury compound; ureas | diagnostic agent; diuretic |
alkenes | [no description available] | medium | 1 | 0 | | |
ethidium | [no description available] | medium | 1 | 0 | phenanthridines | fluorochrome; intercalator |
cyclopentane | [no description available] | medium | 3 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
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 |
1-naphthylamine | [no description available] | medium | 1 | 0 | naphthylamine | human xenobiotic metabolite |
acetaldehyde | [no description available] | medium | 1 | 0 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
chalcone | [no description available] | medium | 1 | 0 | chalcone | EC 3.2.1.1 (alpha-amylase) inhibitor |
ozone | [no description available] | medium | 1 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
cromakalim | [no description available] | medium | 1 | 0 | | |
nitromethane | [no description available] | medium | 1 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
1,n(6)-ethenoadenosine diphosphate | [no description available] | medium | 1 | 0 | | |
1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid | [no description available] | medium | 1 | 0 | polyamino carboxylic acid; tetracarboxylic acid | chelator |
omega-conotoxin (conus magus) | [no description available] | medium | 1 | 0 | | |
ampicillin | [no description available] | medium | 3 | 0 | beta-lactam antibiotic; penicillin allergen; penicillin | antibacterial drug |
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid | [no description available] | medium | 3 | 0 | | |
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid | [no description available] | medium | 3 | 0 | stilbenoid | |
tetraethylammonium | [no description available] | medium | 3 | 0 | quaternary ammonium ion | |
magnesium nitrate | [no description available] | medium | 1 | 0 | inorganic nitrate salt; magnesium salt | fertilizer |
4-iodophenyl-9-methylpentadecanoic acid | [no description available] | medium | 1 | 0 | | |
lovastatin | [no description available] | medium | 1 | 1 | delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring) | anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug |
acetone | [no description available] | medium | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
amifampridine | [no description available] | medium | 1 | 0 | aminopyridine | |
paraquat | [no description available] | medium | 1 | 0 | organic cation | geroprotector; herbicide |
aniline | [no description available] | medium | 1 | 0 | anilines; primary arylamine | |
sodium salicylate | [no description available] | medium | 1 | 0 | organic molecular entity | |
phenylmercuric acetate | [no description available] | medium | 1 | 0 | arylmercury compound; benzenes | |
coenzyme a | [no description available] | medium | 1 | 0 | adenosine 3',5'-bisphosphate | coenzyme; Escherichia coli metabolite; mouse metabolite |
piperidines | [no description available] | medium | 1 | 0 | | |
ketanserin | [no description available] | medium | 1 | 0 | aromatic ketone; organofluorine compound; piperidines; quinazolines | alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist |
lysophosphatidylcholines | [no description available] | medium | 2 | 0 | 1-O-acyl-sn-glycero-3-phosphocholine | |
iodoacetic acid | [no description available] | medium | 1 | 0 | haloacetic acid; organoiodine compound | alkylating agent |
dimyristoylphosphatidylcholine | [no description available] | medium | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester | antigen; mouse metabolite |
anthopleurin-a | [no description available] | medium | 1 | 0 | | |
thiouridine | [no description available] | medium | 1 | 0 | nucleoside analogue; thiouridine | affinity label; antimetabolite |
dactinomycin | [no description available] | medium | 1 | 0 | actinomycin | mutagen |
imipramine | [no description available] | medium | 3 | 0 | dibenzoazepine | adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
tolonium chloride | [no description available] | medium | 3 | 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 |
technetium tc 99m lidofenin | [no description available] | medium | 2 | 0 | | |
citiolone | [no description available] | medium | 1 | 0 | N-acyl-amino acid | |
thiophenes | [no description available] | medium | 1 | 0 | mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound | non-polar solvent |
n-acetylpenicillamine | [no description available] | medium | 1 | 0 | N-acetyl-D-amino acid | |
indium oxine | [no description available] | medium | 2 | 0 | | |
selenious acid | [no description available] | medium | 1 | 0 | selenium oxoacid | |
technetium tc 99m diphosphonate | [no description available] | medium | 2 | 0 | | |
indacrinone | [no description available] | medium | 1 | 0 | | |
4-chloromercuribenzenesulfonate | [no description available] | medium | 1 | 0 | arenesulfonic acid; arylmercury compound | |
calcitriol | [no description available] | medium | 1 | 0 | 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 |
antipyrine | [no description available] | medium | 1 | 0 | pyrazolone | antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic |
iodoantipyrine | [no description available] | medium | 1 | 0 | | |
saccharin | [no description available] | medium | 1 | 0 | 1,2-benzisothiazole; N-sulfonylcarboxamide | environmental contaminant; sweetening agent; xenobiotic |
clioquinol | [no description available] | medium | 1 | 0 | monohydroxyquinoline; organochlorine compound; organoiodine compound | antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator |
guanethidine | [no description available] | medium | 1 | 0 | azocanes; guanidines | adrenergic antagonist; antihypertensive agent; sympatholytic agent |
isoleucine | [no description available] | medium | 1 | 0 | aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
fluorouracil | [no description available] | medium | 2 | 0 | nucleobase analogue; organofluorine compound | antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic |
mitomycin | [no description available] | medium | 1 | 0 | mitomycin | alkylating agent; antineoplastic agent |
sodium cyanide | [no description available] | medium | 1 | 0 | cyanide salt; one-carbon compound; sodium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor |
n-formylmethionine leucyl-phenylalanine | [no description available] | medium | 1 | 0 | tripeptide | |
thiopental | [no description available] | medium | 1 | 0 | barbiturates | anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic |
halothane | [no description available] | medium | 1 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
fentanyl | [no description available] | medium | 1 | 0 | anilide; monocarboxylic acid amide; piperidines | adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic |
metoprolol | [no description available] | medium | 3 | 3 | aromatic ether; propanolamine; secondary alcohol; secondary amino compound | antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic |
adosterol | [no description available] | medium | 1 | 0 | | |
19-iodocholesterol | [no description available] | medium | 1 | 0 | | |
timolol | [no description available] | medium | 1 | 1 | timolol | anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist |
potassium cyanide | [no description available] | medium | 1 | 0 | cyanide salt; one-carbon compound; potassium salt | EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin |
pyrene | [no description available] | medium | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
palmitic acid | [no description available] | medium | 1 | 0 | long-chain fatty acid; straight-chain saturated fatty acid | algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite |
octanoic acid | [no description available] | medium | 1 | 0 | medium-chain fatty acid; straight-chain saturated fatty acid | antibacterial agent; Escherichia coli metabolite; human metabolite |
trichlorfon | [no description available] | medium | 1 | 0 | organic phosphonate; organochlorine compound; phosphonic ester | agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide |
idoxuridine | [no description available] | medium | 1 | 0 | organoiodine compound; pyrimidine 2'-deoxyribonucleoside | antiviral drug; DNA synthesis inhibitor |
dihydroxyphenylalanine | [no description available] | medium | 2 | 0 | hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative | human metabolite |
erythromycin | [no description available] | medium | 2 | 0 | cyclic ketone; erythromycin | |
hydroxyproline | [no description available] | medium | 2 | 0 | 4-hydroxyproline; L-alpha-amino acid zwitterion | human metabolite; mouse metabolite; plant metabolite |
vanilmandelic acid | [no description available] | medium | 2 | 0 | 2-hydroxy monocarboxylic acid; aromatic ether; phenols | human metabolite |
sulfamethazine | [no description available] | medium | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
cephaloridine | [no description available] | medium | 1 | 0 | beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative | antibacterial drug |
uric acid | [no description available] | medium | 1 | 0 | uric acid | Escherichia coli metabolite; human metabolite; mouse metabolite |
elastin | [no description available] | medium | 1 | 0 | oligopeptide | |
ammonium sulfate | [no description available] | medium | 1 | 0 | ammonium salt; inorganic sulfate salt | fertilizer |
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 |
amiloride | [no description available] | medium | 1 | 0 | aromatic amine; guanidines; organochlorine compound; pyrazines | diuretic; sodium channel blocker |
bromates | [no description available] | medium | 2 | 0 | bromine oxoanion; monovalent inorganic anion | |
erythrosine | [no description available] | medium | 1 | 0 | | |
nystatin a1 | [no description available] | medium | 2 | 0 | nystatins | |
cytosine | [no description available] | medium | 1 | 0 | aminopyrimidine; pyrimidine nucleobase; pyrimidone | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
dibenzo-30-crown-10 | [no description available] | medium | 1 | 0 | | |
carbofuran | [no description available] | medium | 1 | 0 | 1-benzofurans; carbamate ester | acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide |
nitrites | [no description available] | medium | 3 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
chlorates | [no description available] | medium | 1 | 0 | chlorine oxoanion; monovalent inorganic anion | |
morphinans | [no description available] | medium | 1 | 0 | isoquinoline alkaloid fundamental parent; morphinane alkaloid | |
praseodymium | [no description available] | medium | 1 | 0 | f-block element atom; lanthanoid atom | |
rhodium | [no description available] | medium | 2 | 0 | cobalt group element atom | |
isoflurophate | [no description available] | medium | 1 | 0 | dialkyl phosphate | |
aldrin | [no description available] | medium | 1 | 0 | | |
puromycin | [no description available] | medium | 1 | 0 | puromycins | antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor |
muramidase | [no description available] | medium | 3 | 0 | | |
glucosamine | [no description available] | medium | 1 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
mannitol | [no description available] | medium | 1 | 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 |
leucine | [no description available] | medium | 1 | 0 | amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid | algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite |
glutamine | [no description available] | medium | 1 | 0 | amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid | EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
ornithine | [no description available] | medium | 1 | 0 | non-proteinogenic L-alpha-amino acid; ornithine | algal metabolite; hepatoprotective agent; mouse metabolite |
phosphoenolpyruvate | [no description available] | medium | 1 | 0 | carboxyalkyl phosphate; monocarboxylic acid | fundamental metabolite |
dianemycin | [no description available] | medium | 1 | 0 | | |
xenon | [no description available] | medium | 1 | 0 | monoatomic xenon; noble gas atom; p-block element atom | |
iodohippuric acid | [no description available] | medium | 2 | 0 | benzamides; N-acylglycine; organoiodine compound | |
methenamine | [no description available] | medium | 2 | 0 | polyazaalkane; polycyclic cage; tetramine | antibacterial drug |
furazolidone | [no description available] | medium | 2 | 0 | nitrofuran antibiotic; oxazolidines | antibacterial drug; antiinfective agent; antitrichomonal drug; EC 1.4.3.4 (monoamine oxidase) inhibitor |
uracil | [no description available] | medium | 2 | 0 | pyrimidine nucleobase; pyrimidone | allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite |
nitrofurazone | [no description available] | medium | 2 | 0 | | |
ovalbumin | [no description available] | medium | 1 | 0 | | |
creatine | [no description available] | medium | 1 | 0 | glycine derivative; guanidines; zwitterion | geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical |
amphotericin b | [no description available] | medium | 1 | 0 | antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic | antiamoebic agent; antiprotozoal drug; bacterial metabolite |
cantharidin | [no description available] | medium | 1 | 0 | cyclic dicarboxylic anhydride; monoterpenoid | EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; herbicide |
phentolamine | [no description available] | medium | 2 | 0 | imidazoles; phenols; substituted aniline; tertiary amino compound | alpha-adrenergic antagonist; vasodilator agent |
1-propanol | [no description available] | medium | 1 | 0 | propan-1-ols; short-chain primary fatty alcohol | metabolite; protic solvent |
D-fructopyranose | [no description available] | medium | 2 | 0 | cyclic hemiketal; D-fructose; fructopyranose | sweetening agent |
aldosterone | [no description available] | medium | 1 | 0 | 11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde | human metabolite; mouse metabolite |
neptunium | [no description available] | medium | 1 | 0 | actinoid atom; f-block element atom | |
fusarium | [no description available] | medium | 1 | 0 | | |
isomethyleugenol | [no description available] | medium | 4 | 0 | isomethyleugenol | |
trazodone hydrochloride | [no description available] | medium | 3 | 0 | hydrochloride | adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor |
phenylephrine hydrochloride | [no description available] | medium | 1 | 1 | hydrochloride | |
4-methoxyamphetamine | [no description available] | medium | 2 | 1 | | |
eye | [no description available] | medium | 8 | 0 | | |
nicosulfuron | [no description available] | medium | 1 | 0 | N-sulfonylurea; pyridines; pyrimidines | environmental contaminant; herbicide; xenobiotic |
torpedo | [no description available] | medium | 4 | 0 | | |
digitoxin | [no description available] | medium | 3 | 0 | cardenolide glycoside | EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor |
cetylpyridinium chloride anhydrous | [no description available] | medium | 2 | 0 | chloride salt; organic chloride salt | antiseptic drug; surfactant |
guaifenesin | [no description available] | medium | 1 | 0 | methoxybenzenes | |
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 |
ants | [no description available] | medium | 1 | 0 | | |
trolamine salicylate | [no description available] | medium | 1 | 0 | | |
foxes | [no description available] | medium | 1 | 0 | | |
pica | [no description available] | medium | 1 | 0 | | |
2-propanol | [no description available] | medium | 1 | 0 | secondary alcohol; secondary fatty alcohol | protic solvent |