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3-hydroxy-5-oxohexanoic acid is a 5-oxo monocarboxylic acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a hexanoic acid. It is a conjugate acid of a 3-hydroxy-5-oxohexanoate. | CC(=O)CC(CC(=O)O)O |
4-nitrophenyl phosphate is an aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. It has a role as a mouse metabolite. It is functionally related to a 4-nitrophenol. It is a conjugate acid of a 4-nitrophenyl phosphate(2-). | C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O |
Octanoic acid is a straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. It has a role as an antibacterial agent, a human metabolite and an Escherichia coli metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate. | CCCCCCCC(=O)O |
Pimelic acid is an alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. It has a role as an Escherichia coli metabolite and a Daphnia magna metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is a conjugate acid of a pimelate and a pimelate(1-). | C(CCC(=O)O)CCC(=O)O |
Ornithine is an alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. It has a role as a human metabolite, a Daphnia magna metabolite, an algal metabolite and an Escherichia coli metabolite. It is a conjugate base of an ornithinium(1+). It is a conjugate acid of an ornithinate. | C(CC(C(=O)O)N)CN |
Indole-3-acetamide is a member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). It has a role as a fungal metabolite, a bacterial metabolite and a plant metabolite. It is a N-acylammonia, a monocarboxylic acid amide and a member of indoles. It is functionally related to an acetamide. | C1=CC=C2C(=C1)C(=CN2)CC(=O)N |
2-nitropropane is a secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120###). It has a role as a hepatotoxic agent, a carcinogenic agent, a polar aprotic solvent and a xenobiotic. | CC(C)[N+](=O)[O-] |
2-formylphenylformamide is a member of benzaldehydes. | C1=CC=C(C(=C1)C=O)NC=O |
4-amino-1,2-oxazolidin-3-one is a member of the class of oxazolidines that is isoxazoldin-3-one which is substituted at position 4 by an amino group. It is a serine derivative, a member of oxazolidines, a primary amino compound and a hydroxamic acid ester. | C1C(C(=O)NO1)N |
Sulfur atom is a nonmetal atom and a chalcogen. It has a role as a macronutrient. | S |
4-aminophenol is an amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. It has a role as a metabolite and an allergen. | C1=CC(=CC=C1N)O |
1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone is a member of pyrrolidines and a member of pyridines. | CN1C(CCC1=O)C2=CN=CC=C2 |
Nicotine N(1')-oxide is a tertiary amine oxide resulting from the oxidation of the pyrrolidine nitrogen of nicotine. It is a member of pyrrolidine N-oxides and a member of pyridines. It derives from a hydride of a nicotine. | C[N+]1(CCCC1C2=CN=CC=C2)[O-] |
Norcotinine is a member of pyrrolidines and a member of pyridines. | C1CC(=O)NC1C2=CN=CC=C2 |
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)- is a member of pyrrolidines and a member of pyridines. | CN1C(CC(C1=O)O)C2=CN=CC=C2 |
Cyclohexa-3,5-diene-1,2-diol is a member of catechols. It derives from a hydride of a cyclohexa-1,3-diene. | C1=CC(C(C=C1)O)O |
Dihydrolipoic acid is a thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects. It has a role as a neuroprotective agent, an antioxidant and a human metabolite. It is functionally related to an octanoic acid. It is a conjugate acid of a dihydrolipoate. | C(CCC(=O)O)CC(CCS)S |
2-amino-4-oxopentanoic acid is a derivative of valeric acid having amino and oxo substituents at the 2- and 4-positions respectively. It is a 4-oxo monocarboxylic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a valeric acid. It is a tautomer of a 2-amino-4-oxopentanoic acid zwitterion. | CC(=O)CC(C(=O)O)N |
Aspartic acid is an alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent It has a role as a fundamental metabolite. It is an alpha-amino acid, a C4-dicarboxylic acid and a polar amino acid. It contains a carboxymethyl group. It is a conjugate acid of an aspartate(1-) and an aspartate. | C(C(C(=O)O)N)C(=O)O |
5-(Amidinoamino)-2-[(carboxyethyl)amino]pentanoic acid is an alanine derivative. | CC(C(=O)O)NC(CCCN=C(N)N)C(=O)O |
Trimethylenediamine is an alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a human metabolite and a mouse metabolite. It is a conjugate base of a trimethylenediaminium. | C(CN)CN |
Nicotine imine is a citraconoyl group. | C[N+]1=CCCC1C2=CN=CC=C2 |
Pseudooxynicotine is an aminoacylpyridine that is pyridine substituted at position 3 by a 4-(methylamino)butanoyl group. It is a pyridine alkaloid and an aminoacylpyridine. It is a conjugate base of a pseudooxynicotinium(1+). | CNCCCC(=O)C1=CN=CC=C1 |
4-Oxo-4-(3-pyridyl)-butanamide is an aromatic ketone. | C1=CC(=CN=C1)C(=O)CCC(=O)N |
Oxoamide is an aromatic ketone. | CNC(=O)CCC(=O)C1=CN=CC=C1 |
4-oxo-4-(pyridin-3-yl)butanoic acid is a monocarboxylic acid that is succinic acid in which the hydroxy group of one of the carboxy groups is replaced by a pyridin-3-yl group. A byproduct of tobacco-specific N-nitrosamines generated by cytochrome P-450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation, this nicotine metabolite is commonly found in the urine of smokers. It is a member of pyridines, a monocarboxylic acid and an aromatic ketone. It is functionally related to a 4-oxo-4-(pyridin-3-yl)butanal. It is a conjugate acid of a 4-oxo-4-(pyridin-3-yl)butanoate. | C1=CC(=CN=C1)C(=O)CCC(=O)O |
Gamma-Hydroxy-3-pyridinebutanoate is a member of pyridines. | C1=CC(=CN=C1)C(CCC(=O)O)O |
10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is a cholestanoid. | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C |
3-hydroxybutyric acid is a straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. It has a role as a human metabolite. It is a 3-hydroxy monocarboxylic acid, a hydroxybutyric acid and an (omega-1)-hydroxy fatty acid. It is functionally related to a butyric acid. It is a conjugate acid of a 3-hydroxybutyrate. | CC(CC(=O)O)O |
Bupropion is an aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. It has a role as an antidepressant, an environmental contaminant and a xenobiotic. It is a secondary amino compound, a member of monochlorobenzenes and an aromatic ketone. | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C |
Hydroxybupropion is an aromatic ketone. | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CO |
3-chlorobenzoic acid is a monochlorobenzoic acid carrying a chloro substituent at position 3. It has a role as a drug metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 3-chlorobenzoate. | C1=CC(=CC(=C1)Cl)C(=O)O |
M-Chloro-hippuric acid is a N-acylglycine. It is functionally related to a N-benzoylglycine. | C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)O |
Mevalonic acid is a racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid. It has a role as a human urinary metabolite and a mouse metabolite. It contains a (R)-mevalonic acid and a (S)-mevalonic acid. It is a conjugate acid of a mevalonate. | CC(CCO)(CC(=O)O)O |
13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol is a steroid. It has a role as an estrogen. | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O |
Hexane-1,2,3,4,5,6-hexol is a hexitol. | C(C(C(C(C(CO)O)O)O)O)O |
Octanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). It has a role as a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde. | CCCCCCCC=O |
2-Amino-6-(2-hydroxypropanoyl)-4a,7,8,8a-tetrahydro-3H-pteridin-4-one is a member of pterins. | CC(C(=O)C1=NC2C(NC1)N=C(NC2=O)N)O |
Oxaluric acid is a 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom. It has a role as an Escherichia coli metabolite. It is a 2-oxo monocarboxylic acid and a member of ureas. It is a conjugate acid of an oxalurate. | C(=O)(C(=O)O)NC(=O)N |
1-methylnicotinamide is a pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inactive but has emerged as an anti-thrombotic and anti-inflammatory agent. It has a role as a Saccharomyces cerevisiae metabolite, a mouse metabolite, a human urinary metabolite, an algal metabolite, a plant metabolite and an anti-inflammatory agent. It is functionally related to a nicotinamide. | C[N+]1=CC=CC(=C1)C(=O)N |
Guaiacol is a monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. It has a role as an expectorant, a disinfectant, a plant metabolite and an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor. It is functionally related to a catechol. | COC1=CC=CC=C1O |
O-palmitoylcarnitine is an O-acylcarnitine having palmitoyl (hexadecanoyl) as the acyl substituent. It has a role as a metabolite. It is functionally related to a hexadecanoic acid. | CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
[3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammonium is an acylcholine. | CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C |
N2-Succinoylarginine is a N-acyl-amino acid. | C(CC(C(=O)O)NC(=O)CCC(=O)O)CN=C(N)N |
N-benzoylglycine is an N-acylglycine in which the acyl group is specified as benzoyl. It has a role as a uremic toxin and a human blood serum metabolite. It is a conjugate acid of a N-benzoylglycinate. | C1=CC=C(C=C1)C(=O)NCC(=O)O |
Hexose 1-phosphate is an aldohexose phosphate. | C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O |
2-aminoadipic acid is an alpha-amino acid that is adipic acid bearing a single amino substituent at position 2. An intermediate in the formation of lysine. It has a role as a mammalian metabolite and a Caenorhabditis elegans metabolite. It is an amino dicarboxylic acid, a non-proteinogenic alpha-amino acid and a dicarboxylic fatty acid. It is a conjugate acid of a 2-aminoadipate(2-). | C(CC(C(=O)O)N)CC(=O)O |
2,4-diaminobutyric acid is a diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups. It is a diamino acid, a gamma-amino acid and a non-proteinogenic alpha-amino acid. It is functionally related to a butyric acid. | C(CN)C(C(=O)O)N |
Taxifolin is a pentahydroxyflavanone that is the 2,3-dihydro derivative of quercetin. It is a pentahydroxyflavanone, a member of dihydroflavonols, a member of 3'-hydroxyflavanones, a secondary alpha-hydroxy ketone and a member of 4'-hydroxyflavanones. It is functionally related to a quercetin. | C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
4-(2-aminophenyl)-2,4-dioxobutanoic acid is a dioxo monocarboxylic acid, a beta-diketone, a substituted aniline, a 2-oxo monocarboxylic acid, a 4-oxo monocarboxylic acid and an aromatic ketone. It has a role as a mouse metabolite. It is functionally related to a butyric acid. It is a conjugate acid of a 4-(2-aminophenyl)-2,4-dioxobutanoate. | C1=CC=C(C(=C1)C(=O)CC(=O)C(=O)O)N |
4-methylthio-2-oxobutanoic acid is a 2-oxo monocarboxylic acid derived from L-methionine via the action of methionine transaminase. It is functionally related to a butyric acid and a L-methionine. It is a conjugate acid of a 4-methylthio-2-oxobutanoate. | CSCCC(=O)C(=O)O |
3-hydroxy-3-methyl-5-phosphonooxypentanoic acid is a monoalkyl phosphate. | CC(CCOP(=O)(O)O)(CC(=O)O)O |
4-aminoimidazole is an aminoimidazole that is 1H-imidazole substituted by an amino group at position 4. It derives from a hydride of a 1H-imidazole. | C1=C(NC=N1)N |
Choline sulfate is an ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group. It is an ammonium betaine and a member of choline sulfates. It is a conjugate base of a choline hydrogen sulfate. | C[N+](C)(C)CCOS(=O)(=O)[O-] |
Choline hydrogen sulfate is a quaternary ammonium ion and a member of choline sulfates. It is a conjugate acid of a choline sulfate. | C[N+](C)(C)CCOS(=O)(=O)O |
Methylmalonic acid is a dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group. It has a role as a human metabolite. It is functionally related to a malonic acid. It is a conjugate acid of a methylmalonate(1-). | CC(C(=O)O)C(=O)O |
Phosphonoacetaldehyde is a phosphonic acid consisting of acetaldehyde with the phospho group at the 2-position. It has a role as a mouse metabolite. It is functionally related to a phosphonic acid and an acetaldehyde. It is a conjugate acid of a phosphonoacetaldehyde(1-). | C(C=O)P(=O)(O)O |
Trithionate(2-) is a sulfur oxoanion and a sulfur oxide. It is a conjugate base of a trithionate(1-). | [O-]S(=O)(=O)SS(=O)(=O)[O-] |
Trithionic acid is a sulfur oxoacid. It is a conjugate acid of a trithionate(1-). | OS(=O)(=O)SS(=O)(=O)O |
N(1)-acetylspermidine is an acetylspermidine having the acetyl group at the N1-position. It has a role as a metabolite and an Escherichia coli metabolite. It is a conjugate base of a N(1)-acetylspermidinium(2+). | CC(=O)NCCCNCCCCN |
5-oxoproline is an oxoproline having the oxo group placed at the 5-position. It is an intermediate metabolite in the glutathione cycle. It has a role as a human metabolite. It is a pyrrolidinemonocarboxylic acid, a member of pyrrolidin-2-ones and an oxoproline. It is a conjugate acid of a 5-oxoprolinate. | C1CC(=O)NC1C(=O)O |
4-guanidinobutanoic acid is the 4-guanidino derivative of butanoic acid. It has a role as a fungal metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is functionally related to a butyric acid. It is a conjugate acid of a 4-guanidinobutanoate. It is a tautomer of a 4-guanidinobutanoic acid zwitterion. | C(CC(=O)O)CN=C(N)N |
N-Dimethylarginine is an alpha-amino acid. | CN(C)C(=NCCCC(C(=O)O)N)N |
N-carbamoylputrescine is an N-substituted putrescine where the N-substituent is a carbamoyl group. It is a conjugate base of a N-carbamoylputrescinium(1+). | C(CCNC(=O)N)CN |
1,5-dihydro-4H-imidazol-4-one is an imidazolinone. | C1C(=O)NC=N1 |
Cyclotriphosphoric acid is the cyclic anhydride of triphosphoric acid. It is a phosphorus oxoacid, an inorganic heterocyclic compound and a cyclic phosphorus acid anhydride. It is a conjugate acid of a cyclotriphosphate(3-). | OP1(=O)OP(=O)(OP(=O)(O1)O)O |
Thiamine(1+) triphosphate is a thiamine phosphate that is thiamine(1+) in which the hydroxy group is replaced by a triphosphate group. It is found in low amounts in most vertebrate tissues and can phosphorylate certain proteins. It has a role as a mouse metabolite, an Escherichia coli metabolite, a rat metabolite, a human metabolite, an Arabidopsis thaliana metabolite, a mammalian metabolite and a fungal metabolite. It is a thiamine phosphate and a vitamin B1. It is a conjugate acid of a thiamine(1+) triphosphate(1-). | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O |
3-hydroxybutane-1,2,3-tricarboxylic acid is a tricarboxylic acid that is butan-2-ol in which a hydrogen from each of positions 2, 3, and 4 has been replaced by carboxy groups. It is a tricarboxylic acid, a methylisocitric acid and a tertiary alcohol. It is a conjugate acid of a 3-hydroxybutane-1,2,3-tricarboxylate. | CC(C(CC(=O)O)C(=O)O)(C(=O)O)O |
2-methylcitric acid is a tricarboxylic acid. It is functionally related to a citric acid. It is a conjugate acid of a 2-methylcitrate(3-). | CC(C(=O)O)C(CC(=O)O)(C(=O)O)O |
2,5-dioxopentanoic acid is a dioxo monocarboxylic acid and an aldehyde. It is functionally related to a valeric acid. It is a conjugate acid of a 2,5-dioxopentanoate. | C(CC(=O)C(=O)O)C=O |
2-hydroxy-3-oxosuccinic acid is an oxo dicarboxylic acid, a C4-dicarboxylic acid and a secondary alpha-hydroxy ketone. It is functionally related to a succinic acid. It is a conjugate acid of a 2-hydroxy-3-oxosuccinate(2-). | C(C(=O)C(=O)O)(C(=O)O)O |
Malic acid is a 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group. It has a role as a food acidity regulator and a fundamental metabolite. It is a 2-hydroxydicarboxylic acid and a C4-dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of a malate(2-) and a malate. | C(C(C(=O)O)O)C(=O)O |
Propanal is an aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals. It has a role as an Escherichia coli metabolite. It is an alpha-CH2-containing aldehyde and a member of propanals. | CCC=O |
O-acetylhomoserine is an alpha-amino acid that is homoserine in which the alcoholic hydroxy group has been converted to the corresponding acetate. It is an acetate ester and a non-proteinogenic alpha-amino acid. It is functionally related to a homoserine. It is a tautomer of an O-acetylhomoserine zwitterion. | CC(=O)OCCC(C(=O)O)N |
2-phosphoglycolic acid is the O-phospho derivative of glycolic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a glycolic acid. It is a conjugate acid of a 2-phosphonatoglycolate(3-) and a 2-phosphoglycolate. | C(C(=O)O)OP(=O)(O)O |
Selane is a selenium hydride and a mononuclear parent hydride. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate base of a selenonium. It is a conjugate acid of a selanide. | [SeH2] |
1-aminocyclopropanecarboxylic acid is a non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. It has a role as a plant metabolite and a member of ethylene releasers. It is a monocarboxylic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a cyclopropanecarboxylic acid. It is a conjugate acid of a 1-aminocyclopropanecarboxylate. It is a tautomer of a 1-aminocyclopropanecarboxylic acid zwitterion. | C1CC1(C(=O)O)N |
Cyanic acid is a one-carbon compound and a pseudohalogen oxoacid. It is a conjugate acid of a cyanate. It is a tautomer of an isocyanic acid. | C(#N)O |
4-nitrobenzaldehyde is a C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. It is a C-nitro compound and a member of benzaldehydes. | C1=CC(=CC=C1C=O)[N+](=O)[O-] |
5-oxo-2,5-dihydro-2-furylacetic acid is a 5-oxo-2-furylacetic acid having the C=C double bond at the 3,4-position. It is a conjugate acid of a 5-oxo-2,5-dihydro-2-furylacetate. | C1=CC(=O)OC1CC(=O)O |
2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid is a 5-oxo-2-furylacetic acid having a carboxy group at the 2-position. It is a furoic acid and a 5-oxo-2-furylacetic acid. It is a conjugate acid of a 2-(carboxylatomethyl)-5-oxo-2,5-dihydro-2-furoate(2-). | C1=CC(OC1=O)(CC(=O)O)C(=O)O |
Arsenite(3-) is an arsenite ion resulting from the removal of all three protons from the hydroxy groups of arsenous acid. It is an arsenite ion and a trivalent inorganic anion. It is a conjugate base of an arsenite(2-). | [O-][As]([O-])[O-] |
Arsenous acid is an arsenic oxoacid consisting of three hydroxy groups attached to a central arsenic atom. It is a conjugate acid of an arsenite(1-). | O[As](O)O |
Phosphonoacetic acid is a member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group. It has a role as an antiviral agent and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is a monocarboxylic acid and a member of phosphonic acids. It is functionally related to a phosphonic acid and an acetic acid. It is a conjugate acid of a hydrogen phosphonatoacetate(2-). | C(C(=O)O)P(=O)(O)O |
(3,4-dihydroxyphenyl)acetic acid is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has a role as a human metabolite. It is a dihydroxyphenylacetic acid and a member of catechols. It is functionally related to a phenylacetic acid. It is a conjugate acid of a (3,4-dihydroxyphenyl)acetate. | C1=CC(=C(C=C1CC(=O)O)O)O |
4-hydroxy-2-oxoheptanedioic acid is an oxo dicarboxylic acid consisting of pimelic acid substituted at positions 2 and 4 by oxo and hydroxy groups respectively. It is an oxo dicarboxylic acid and a dicarboxylic fatty acid. It is functionally related to a pimelic acid. It is a conjugate acid of a 4-hydroxy-2-oxoheptanedioate. It is a tautomer of a 2,4-dihydroxyhept-2-enedioic acid. | C(CC(=O)O)C(CC(=O)C(=O)O)O |
1,1-Dimethylpyrrolidinium-2-carboxylate is a proline derivative. | C[N+]1(CCCC1C(=O)[O-])C |
DL-Stachydrine is a proline derivative. | C[N+]1(CCCC1C(=O)O)C |
5-guanidino-2-oxopentanoic acid is a 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a valeric acid. It is a conjugate acid of a 5-guanidino-2-oxopentanoate. It is a tautomer of a 5-guanidino-2-oxopentanoic acid zwitterion. | C(CC(=O)C(=O)O)CN=C(N)N |
4-guanidinobutanal is a member of butanals. It is a conjugate base of a 4-guanidiniumylbutanal. | C(CC=O)CN=C(N)N |
5-(methylsulfanyl)-2,3-dioxopentyl phosphate is an oxoalkyl phosphate, an aliphatic sulfide and an alpha-diketone. It is a conjugate acid of a 5-(methylsulfanyl)-2,3-dioxopentyl phosphate(2-). It is a tautomer of a 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate. | CSCCC(=O)C(=O)COP(=O)(O)O |
3-(methylthio)propionic acid is a thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cassava pathogen Xanthomonas campestris manihotis. It has a role as a phytotoxin. It is functionally related to a propionic acid. It is a conjugate acid of a 3-(methylthio)propionate. | CSCCC(=O)O |
6-aminohexanoic acid is an epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator. It has a role as an antifibrinolytic drug, a hematologic agent and a metabolite. It is an epsilon-amino acid and an omega-amino fatty acid. It is functionally related to a hexanoic acid. It is a conjugate acid of a 6-aminohexanoate. It is a tautomer of a 6-aminohexanoic acid zwitterion. | C(CCC(=O)O)CCN |
Phenylmercury(.) is an arylmercury compound. | C1=CC=C(C=C1)[Hg] |
Dibenzofuran is a mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. It has a role as a xenobiotic. It is a member of dibenzofurans, a polycyclic heteroarene and a mancude organic heterotricyclic parent. | C1=CC=C2C(=C1)C3=CC=CC=C3O2 |
Biphenyl-2,2',3-triol is a member of catechols and a member of hydroxybiphenyls. It has a role as a mouse metabolite. | C1=CC=C(C(=C1)C2=C(C(=CC=C2)O)O)O |
Fosmidomycin is propylphosphonic acid in which one of the hydrogens at position 3 is substituted by a formyl(hydroxy)amino group. An antibiotic obtained from Streptomyces lavendulae, it specifically inhibits DXP reductoisomerase (EC 1.1.1.267), a key enzyme in the non-mevalonate pathway of isoprenoid biosynthesis. It has a role as an antimicrobial agent, an EC 1.1.1.267 (1-deoxy-D-xylulose-5-phosphate reductoisomerase) inhibitor and a bacterial metabolite. It is a member of phosphonic acids and a hydroxamic acid. | C(CN(C=O)O)CP(=O)(O)O |
Cotinine methonium ion is a member of pyrrolidines and a member of pyridines. | CN1C(CCC1=O)C2=C[N+](=CC=C2)C |
2-hydroxychromene-2-carboxylic acid is a chromenemonocarboxylic acid that consists of chromene bearing carboxy and hydroxy substituents at the 2-position. It is a chromenol and a chromenemonocarboxylic acid. It is a conjugate acid of a 2-hydroxychromene-2-carboxylate. | C1=CC=C2C(=C1)C=CC(O2)(C(=O)O)O |
Creatine is a glycine derivative having methyl and amidino groups attached to the nitrogen. It has a role as a neuroprotective agent, a nutraceutical, a human metabolite, a mouse metabolite and a geroprotector. It is a member of guanidines and a glycine derivative. It is a conjugate acid of a creatinate. It is a tautomer of a creatine zwitterion. | CN(CC(=O)O)C(=N)N |