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Creatinine is a lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine. It has a role as a diagnostic agent and a human metabolite. It is a lactam and an imidazolidinone. It is functionally related to a creatine. | CN1CC(=O)N=C1N |
Cysteine is a sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. It has a role as a fundamental metabolite. It is an alpha-amino acid, a polar amino acid and a sulfur-containing amino acid. It contains a sulfanylmethyl group. It is a conjugate base of a cysteinium. It is a conjugate acid of a cysteinate(1-). It is a tautomer of a cysteine zwitterion. | C(C(C(=O)O)N)S |
Cystine is a sulfur-containing amino acid obtained by the oxidation of two cysteine molecules which are then linked via a disulfide bond. It has a role as a human metabolite and a mouse metabolite. It is an organic disulfide, a sulfur-containing amino acid and a cysteine derivative. It is a tautomer of a cystine zwitterion. | C(C(C(=O)O)N)SSCC(C(=O)O)N |
Cytosine is an aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a pyrimidine nucleobase, a pyrimidone and an aminopyrimidine. | C1=C(NC(=O)N=C1)N |
Coenzyme M is an organosulfonic acid consisting of sulfonic acid having a 2-mercaptoethyl group attached to sulfur. It has a role as a coenzyme. It is an organosulfonic acid and a thiol. It is a conjugate acid of a coenzyme M(1-). | C(CS(=O)(=O)O)S |
4-hydroxy-2-oxoglutaric acid is an oxo dicarboxylic acid comprising glutaric acid having oxo- and hydroxy substituents at the 2- and 4-positions respectively. It is functionally related to a glutaric acid. It is a conjugate acid of a 4-hydroxy-2-oxoglutarate(1-). | C(C(C(=O)O)O)C(=O)C(=O)O |
Alanyl-alanine is a dipeptide. | CC(C(=O)NC(C)C(=O)O)N |
Alanine is an alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. It has a role as a fundamental metabolite. It is functionally related to a propionic acid. It is a conjugate base of an alaninium. It is a conjugate acid of an alaninate. It is a tautomer of an alanine zwitterion. | CC(C(=O)O)N |
Isohexonic acid is a carbonyl compound. | C(C(C(C(C(C(=O)O)O)O)O)O)O |
Gulono-1,4-lactone is a gamma-lactone. | C(C(C1C(C(C(=O)O1)O)O)O)O |
(5-Amino-3,4,6-trihydroxyoxan-2-yl)methyl dihydrogen phosphate is a phospho sugar. | C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O |
Glutamic acid is an alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. It has a role as a fundamental metabolite. It is an alpha-amino acid and a polar amino acid. It contains a 2-carboxyethyl group. It is a conjugate acid of a glutamate(1-). | C(CC(=O)O)C(C(=O)O)N |
2-hydroxypropanoic acid is a 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. It has a role as a Daphnia magna metabolite and an algal metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a lactate. | CC(C(=O)O)O |
Proline is an alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. It has a role as a human metabolite and a Daphnia magna metabolite. It is an alpha-amino acid and a member of pyrrolidines. It is a conjugate base of a prolinium. It is a conjugate acid of a prolinate. | C1CC(NC1)C(=O)O |
Serine is an alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. It has a role as a fundamental metabolite. It is an alpha-amino acid and a polar amino acid. It contains a hydroxymethyl group. It is a conjugate base of a serinium. It is a conjugate acid of a serinate. It is a tautomer of a serine zwitterion. | C(C(C(=O)O)N)O |
Alditol 6-phosphate is an alditol phosphate. | C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O |
Cytidine 5'-(dihydrogen phosphate) is a pyrimidine 2'-deoxyribonucleoside monophosphate. | C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O |
1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid is a hydroxy monocarboxylic acid. | C1C(C(C(=O)CC1(C(=O)O)O)O)O |
2-amino-1-hydroxyoctadecan-3-one is a sphingoid and a ketone. | CCCCCCCCCCCCCCCC(=O)C(CO)N |
2,3,4,5-tetrahydrodipicolinic acid is an amino dicarboxylic acid consisting of 2,3,4,5-tetrahydrodipyridine having two carboxy groups at the 2- and 6-positions. It has a role as an Escherichia coli metabolite. It is an amino dicarboxylic acid and a tetrahydropyridine. It is functionally related to a dipicolinic acid. It is a conjugate acid of a 2,3,4,5-tetrahydrodipicolinate(2-). | C1CC(N=C(C1)C(=O)O)C(=O)O |
Dethiobiotin is a hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position. It has a role as an Escherichia coli metabolite. It is a monocarboxylic acid, a member of ureas and an imidazolidinone. It is functionally related to a hexanoic acid. It is a conjugate acid of a dethiobiotin(1-). | CC1C(NC(=O)N1)CCCCCC(=O)O |
Prenyl diphosphate is a prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. It has a role as an epitope, a phosphoantigen, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a prenyl diphosphate(3-). | CC(=CCOP(=O)(O)OP(=O)(O)O)C |
Dihydroorotic acid is a pyrimidinemonocarboxylic acid that results from the base-catalysed cyclisation of N(alpha)-carbethoxyasparagine. It is a secondary amide, a monocarboxylic acid, a pyrimidinemonocarboxylic acid and a N-acylurea. It is functionally related to an orotic acid. It is a conjugate acid of a dihydroorotate. | C1C(NC(=O)NC1=O)C(=O)O |
5,6-dihydrouracil is a pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil. It has a role as a metabolite, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a uracil. | C1CNC(=O)NC1=O |
Butane-2,3-dione is an alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. It has a role as a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite. | CC(=O)C(=O)C |
7,8-diaminononanoic acid is an amino fatty acid carrying amino substituents at positions 7 and 8. Some of its isomers are naturally occurring intermediates of biotin synthesis, and targets of antimicrobial and herbicide development. It is an amino monocarboxylic acid and an amino fatty acid. It is functionally related to a nonanoic acid. It is a conjugate base of a 7,8-diaminononanoate cation. It is a conjugate acid of a 7,8-diaminononanoate. | CC(C(CCCCCC(=O)O)N)N |
Diethyl hydrogen phosphate is a dialkyl phosphate having ethyl as the alkyl group. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of a diethylphosphate(1-). | CCOP(=O)(O)OCC |
O,O-diethyl hydrogen thiophosphate is an organic thiophosphate that is the diethyl ester of phosphorothioic O,O,O-acid. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of an O,O-diethyl thiophosphate. | CCOP(=S)(O)OCC |
3,4-dihydrocoumarin is a chromanone that is the 3,4-dihydro derivative of coumarin. It has a role as a plant metabolite. It is functionally related to a coumarin. | C1CC(=O)OC2=CC=CC=C21 |
Dihydrolipoamide is a dithiol and a monocarboxylic acid amide. It has a role as a human metabolite, a cofactor, a Saccharomyces cerevisiae metabolite and a mouse metabolite. | C(CCC(=O)N)CC(CCS)S |
Dihydroxyacetone phosphate is a member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a primary alpha-hydroxy ketone and a member of glycerone phosphates. It is functionally related to a dihydroxyacetone. It is a conjugate acid of a glycerone phosphate(2-). | C(C(=O)COP(=O)(O)O)O |
2-hydroxy-3-oxobutyl phosphate is an oxoalkyl phosphate, a hydroxyalkyl phosphate and a secondary alpha-hydroxy ketone. It has a role as a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite. | CC(=O)C(COP(=O)(O)O)O |
Dihydroxyacetone is a ketotriose consisting of acetone bearing hydroxy substituents at positions 1 and 3. The simplest member of the class of ketoses and the parent of the class of glycerones. It has a role as a metabolite, an antifungal agent, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a ketotriose and a primary alpha-hydroxy ketone. | C(C(=O)CO)O |
1,4-dihydroxy-2-naphthoic acid is a naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4. It has a role as an Escherichia coli metabolite. It is a dihydroxy monocarboxylic acid, a naphthoic acid, a member of naphthalenediols and a naphthohydroquinone. It is functionally related to a 2-naphthoic acid. It is a conjugate acid of a 1,4-dihydroxy-2-naphthoate. | C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O |
N,N-dimethylglycine is an N-methylglycine that is glycine carrying two N-methyl substituents. It has a role as a human metabolite, a Daphnia magna metabolite and a mouse metabolite. It is a N-methyl-amino acid and a member of N-methylglycines. It is a tautomer of a N,N-dimethylglycine zwitterion. | CN(C)CC(=O)O |
Dimethylamine is a secondary aliphatic amine where both N-substituents are methyl. It has a role as a metabolite. It is a secondary aliphatic amine and a member of methylamines. It is a conjugate base of a dimethylaminium. | CNC |
5,6-dimethylbenzimidazole is a dimethylbenzimidazole carrying methyl substituents at positions 5 and 6. It has a role as an Escherichia coli metabolite and a human metabolite. | CC1=CC2=C(C=C1C)N=CN2 |
2,3-dihydroxy-3-methylbutanoic acid is a dihydroxy monocarboxylic acid that is isovaleric acid which is substituted by hydroxy groups at positions 2 and 3. It is functionally related to a butyric acid and an isovaleric acid. It is a conjugate acid of a 2,3-dihydroxy-3-methylbutanoate. | CC(C)(C(C(=O)O)O)O |
Dimethyl sulfoxide is a 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. It has a role as a polar aprotic solvent, a radical scavenger, a non-narcotic analgesic, an antidote, a MRI contrast agent, an Escherichia coli metabolite, a geroprotector and an alkylating agent. It is a sulfoxide and a volatile organic compound. | CS(=O)C |
Dopamine is catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. It has a role as a cardiotonic drug, a beta-adrenergic agonist, a dopaminergic agent, a sympathomimetic agent, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate base of a dopaminium(1+). | C1=CC(=C(C=C1CCN)O)O |
Glyceric acid 1,3-biphosphate is an acyclic mixed acid anhydride. | C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O |
2-Methyl-4-carboxy-3,4,5,6-tetrahydropyrimidine is an organooxygen compound and an organonitrogen compound. It is functionally related to an alpha-amino acid. | CC1=NCCC(N1)C(=O)O |
Enol-phenylpyruvic acid is a 2-hydroxy monocarboxylic acid that is the enol-form of phenylpyruvic acid, consisting of acrylic acid having a hydroxy substituent at the 2-position and a phenyl group at the 3-position. It is a 2-hydroxy monocarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to an acrylic acid. It is a conjugate acid of an enol-phenylpyruvate. It is a tautomer of a keto-phenylpyruvic acid. | C1=CC=C(C=C1)C=C(C(=O)O)O |
Pyridine-3-carbaldehyde oxime is an aldoxime obtained by the formal condensation of the aldehyde group of pyridine-3-carbaldehyde (nicotinaldehyde) with hydroxylamine. It is a member of pyridines and an aldoxime. It is functionally related to a pyridine-3-carbaldehyde. | C1=CC(=CN=C1)C=NO |
3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is a steroid. It has a role as an estrogen. | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
Ethanolamine is a member of the class of ethanolamines that is ethane with an amino substituent at C-1 and a hydroxy substituent at C-2, making it both a primary amine and a primary alcohol. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a primary amine, a primary alcohol and a member of ethanolamines. It is a conjugate base of an ethanolaminium(1+). | C(CO)N |
Ethanol is a primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. It has a role as an antiseptic drug, a polar solvent, a neurotoxin, a central nervous system depressant, a teratogenic agent, a NMDA receptor antagonist, a protein kinase C agonist, a disinfectant, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a primary alcohol, an alkyl alcohol, a volatile organic compound and a member of ethanols. It is a conjugate acid of an ethoxide. | CCO |
Farnesyl diphosphate is a farnesyl phosphate and a polyprenyl diphosphate. | CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C |
3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid is a hydroxycinnamic acid. | COC1=C(C=CC(=C1)C=CC(=O)O)O |
Formaldehyde is an aldehyde resulting from the formal oxidation of methanol. It has a role as a carcinogenic agent, an allergen, an EC 3.5.1.4 (amidase) inhibitor, a disinfectant, an environmental contaminant, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a one-carbon compound and an aldehyde. | C=O |
Formamide is the simplest monocarboxylic acid amide, obtained by formal condensation of formic acid with ammonia. The parent of the class of formaldehydes. It has a role as a solvent. It is a monocarboxylic acid amide, a one-carbon compound and a member of formamides. It is functionally related to a formic acid. It is a tautomer of a formimidic acid. | C(=O)N |
2,5-bis(hydroxymethyl)oxolane-2,3,4-triol is a C-glycosyl compound. | C(C1C(C(C(O1)(CO)O)O)O)O |
1,6-di-o-phosphonohex-2-ulofuranose is a phospho sugar. | C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O |
3-phosphoglyceric acid is a monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle. It has a role as a fundamental metabolite and an algal metabolite. It is a tetronic acid derivative and a monophosphoglyceric acid. It is functionally related to a glyceric acid. It is a conjugate acid of a 3-phosphoglycerate(3-), a 3-phosphoglycerate(2-) and a 3-phosphoglycerate. | C(C(C(=O)O)O)OP(=O)(O)O |
4-(trimethylammonio)butanoate is an amino-acid betaine gamma-aminobutyric acid zwitterion in which all of the hydrogens attached to the nitrogen are replaced by methyl groups. It has a role as a human metabolite and an Escherichia coli metabolite. It is functionally related to a gamma-aminobutyrate and a gamma-aminobutyric acid zwitterion. It is a conjugate base of a 4-(trimethylammonio)butanoic acid. | C[N+](C)(C)CCCC(=O)[O-] |
Beta-hexachlorocyclohexane is the beta-isomer of hexachlorocyclohexane. It has a role as a persistent organic pollutant. It is an organochlorine pesticide and a hexachlorocyclohexane. | C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl |
Glyceraldehyde 3-phosphate is an aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms. It has a role as a human metabolite, a plant metabolite and an Escherichia coli metabolite. It is an aldotriose phosphate and an aldehyde. It is functionally related to a glyceraldehyde. It is a conjugate acid of a glyceraldehyde 3-phosphate(2-). | C(C(C=O)O)OP(=O)(O)O |
Aldono-1,5-lactone is an aldonolactone obtained by formal oxidation of the anomeric position of any aldopyranose. It is an aldonolactone and a delta-lactone. | C(C1C(C(C(C(=O)O1)O)O)O)O |
Glutamine is an alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. It has a role as a fundamental metabolite. It is an alpha-amino acid and a polar amino acid. It contains a 3-amino-3-oxopropyl group. It is a conjugate base of a glutaminium. It is a conjugate acid of a glutaminate. | C(CC(=O)N)C(C(=O)O)N |
2-Amino-2-Deoxy-Hexose is a hexose. | C(C1C(C(C(C(O1)O)N)O)O)O |
Glutaric acid is an alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid. It has a role as a human 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 glutarate(1-) and a glutarate. | C(CC(=O)O)CC(=O)O |
L-Glutathione (reduced) is an oligopeptide. | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N |
Glutathionylspermidine I is an oligopeptide. | C(CCNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N)CN |
Glycine is the simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. It has a role as a nutraceutical, a hepatoprotective agent, an EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor, a NMDA receptor agonist, a micronutrient, a fundamental metabolite and a neurotransmitter. It is an alpha-amino acid, a serine family amino acid and a proteinogenic amino acid. It is a conjugate base of a glycinium. It is a conjugate acid of a glycinate. It is a tautomer of a glycine zwitterion. | C(C(=O)O)N |
Glyceraldehyde is an aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing. It has a role as a fundamental metabolite. | C(C(C=O)O)O |
Glyceric acid is a trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups. It has a role as a fundamental metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a glycerate. | C(C(C(=O)O)O)O |
Glycerol is a triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups. It has a role as an osmolyte, a solvent, a detergent, a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and a geroprotector. It is an alditol and a triol. | C(C(CO)O)O |
Glycerol 1-phosphate is a glycerol monophosphate having the phosphate group located at position 1. It has a role as a human metabolite and an algal metabolite. It is a conjugate acid of a glycerol 1-phosphate(2-). | C(C(COP(=O)(O)O)O)O |
Glycolaldehyde is the glycolaldehyde derived from ethylene glycol. The parent of the class of glycolaldehydes. It has a role as a fundamental metabolite and a human metabolite. It is a tautomer of a (Z)-1,2-ethenediol. | C(C=O)O |
Glycolic acid is a 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated. It has a role as a metabolite and a keratolytic drug. It is a 2-hydroxy monocarboxylic acid and a primary alcohol. It is functionally related to an acetic acid. It is a conjugate acid of a glycolate. | C(C(=O)O)O |
Glyoxylic acid is a 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom. It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a 2-oxo monocarboxylic acid and an aldehydic acid. It is a conjugate acid of a glyoxylate. | C(=O)C(=O)O |
Guanidinoacetic acid is the N-amidino derivative of glycine. It has a role as a human metabolite, a mouse metabolite, a nutraceutical, a rat metabolite and a bacterial metabolite. It is a conjugate acid of a guanidinoacetate. It is a tautomer of a guanidinoacetic acid zwitterion. | C(C(=O)O)N=C(N)N |
Carbonic acid is a carbon oxoacid and a chalcocarbonic acid. It has a role as a mouse metabolite. It is a conjugate acid of a hydrogencarbonate. | C(=O)(O)O |
Hydrogen cyanide is a one-carbon compound consisting of a methine group triple bonded to a nitrogen atom It has a role as a human metabolite, an Escherichia coli metabolite and a poison. It is a hydracid and a one-carbon compound. It is a conjugate acid of a cyanide. It is a tautomer of a hydrogen isocyanide. | C#N |
Hydrogencarbonate is the carbon oxoanion resulting from the removal of a proton from carbonic acid. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and a cofactor. It is a conjugate base of a carbonic acid. It is a conjugate acid of a carbonate. | C(=O)(O)[O-] |
Histidine is an alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. It has a role as a metabolite. It is an alpha-amino acid, a member of imidazoles, an aromatic amino acid and a polar amino acid. It contains a 1H-imidazol-4-ylmethyl group. It is a conjugate base of a histidinium(1+). It is a conjugate acid of a histidinate(1-). | C1=C(NC=N1)CC(C(=O)O)N |
Histamine is a member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group. It has a role as a human metabolite, a mouse metabolite and a neurotransmitter. It is an aralkylamino compound and a member of imidazoles. It is a conjugate base of a histaminium. | C1=C(NC=N1)CCN |
4-amino-5-hydroxymethyl-2-methylpyrimidine is an aminopyrimidine that is pyrimidine in which the hydrogens at positions 2, 4, and 5 are replaced by methyl, amino, and hydroxymethyl substituents, respectively. It has a role as a Saccharomyces cerevisiae metabolite and an Escherichia coli metabolite. It is an aminopyrimidine and an aromatic primary alcohol. | CC1=NC=C(C(=N1)N)CO |
Homocysteine is a sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain. It has a role as a fundamental metabolite. It is a sulfur-containing amino acid, a member of homocysteines and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a homocysteinate. It is a tautomer of a homocysteine zwitterion. | C(CS)C(C(=O)O)N |
Homoserine is an alpha-amino acid that is glycine substituted at the alpha-position by a 2-hydroxyethyl group. It has a role as a metabolite. It is a conjugate acid of a homoserinate. | C(CO)C(C(=O)O)N |
Homogentisic acid is a dihydroxyphenylacetic acid having the two hydroxy substituents at the 2- and 5-positions. It has a role as a human metabolite and a plant metabolite. It is a dihydroxyphenylacetic acid and a member of hydroquinones. It is functionally related to a phenylacetic acid. It is a conjugate acid of a homogentisate. | C1=CC(=C(C=C1O)CC(=O)O)O |
Thiocyanic acid is a hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom. It has a role as an Escherichia coli metabolite. It is a hydracid, a one-carbon compound and an organosulfur compound. It is a conjugate acid of a thiocyanate. It is a tautomer of an isothiocyanic acid. | C(#N)S |
Hydantoin-5-propionic acid is a imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4. It has a role as a metabolite and a mouse metabolite. It is an imidazolidine-2,4-dione and a monocarboxylic acid. It is functionally related to a hydantoin. It is a conjugate acid of a hydantoin-5-propionate. | C(CC(=O)O)C1C(=O)NC(=O)N1 |
Dihydrogen is an elemental molecule consisting of two hydrogens joined by a single bond. It has a role as an antioxidant, an electron donor, a fuel, a human metabolite and a member of food packaging gas. It is an elemental hydrogen, a gas molecular entity and an elemental molecule. | [HH] |
Peroxides is compounds of structure ROOR'. It has a role as an oxidising agent. It contains a peroxy group. | OO |
Hydroquinone is a benzenediol comprising benzene core carrying two hydroxy substituents para to each other. It has a role as a cofactor, a carcinogenic agent, an Escherichia coli metabolite, a human xenobiotic metabolite, a skin lightening agent, an antioxidant and a mouse metabolite. It is a benzenediol and a member of hydroquinones. | C1=CC(=CC=C1O)O |
Hydroxylamine is the simplest hydroxylamine, consisting of ammonia bearing a hydroxy substituent. It is an intermediate in the biological nitrification by microbes like bacteria. It has a role as a nitric oxide donor, an EC 1.1.3.13 (alcohol oxidase) inhibitor, a nucleophilic reagent, an EC 4.2.1.22 (cystathionine beta-synthase) inhibitor, an EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor, a bacterial xenobiotic metabolite and an algal metabolite. It is a conjugate acid of a hydroxyazanide and an aminooxidanide. It derives from a hydride of an ammonia. | NO |
Preuroporphyrinogen is a member of bilanes. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a preuroporphyrinogen(8-). | C1=C(C(=C(N1)CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4=C(C(=C(N4)CO)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O |
2-amino-3-methylpentanoic acid is a branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. It is an alpha-amino acid and a branched-chain amino acid. | CCC(C)C(C(=O)O)N |
3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate is an oxoalkyl phosphate and a member of imidazoles. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 3-(imidazol-4-yl)-2-oxopropyl phosphate(2-). | C1=C(NC=N1)CC(=O)COP(=O)(O)O |
3-(imidazol-5-yl)lactic acid is a 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. It has a role as a metabolite, a human metabolite and an Escherichia coli metabolite. It is a 2-hydroxy monocarboxylic acid and a member of imidazoles. It is functionally related to a 2-hydroxypropanoic acid. It is a conjugate acid of a 3-(imidazol-5-yl)lactate. | C1=C(NC=N1)CC(C(=O)O)O |
3-(imidazol-5-yl)pyruvic acid is an oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. It is a member of imidazoles, an oxo carboxylic acid and a monocarboxylic acid. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-(imidazol-5-yl)pyruvate. | C1=C(NC=N1)CC(=O)C(=O)O |
1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. | C1=CN=CN1 |
Iminoaspartic acid is a succinic acid derivative having an imino group at the 2-position. It has a role as an Escherichia coli metabolite. It is a ketimine, a C4-dicarboxylic acid and an aspartic acid derivative. It is functionally related to a succinic acid. It is a conjugate acid of an iminoaspartate and an iminoaspartate(1-). | C(C(=N)C(=O)O)C(=O)O |
1H-indole is an indole and a polycyclic heteroarene. It has a role as an Escherichia coli metabolite. It is a tautomer of a 3H-indole. | C1=CC=C2C(=C1)C=CN2 |
1-C-(indol-3-yl)glycerol 3-phosphate is a member of sn-glycerol 3-phosphates. It is functionally related to a glycerol. It is a conjugate acid of a 1-C-(indol-3-yl)glycerol 3-phosphate(2-). | C1=CC=C2C(=C1)C(=CN2)C(C(COP(=O)(O)O)O)O |
Indol-3-ylacetaldehyde is an indoleacetaldehyde that is acetaldehyde in which one of the methyl hydrogens are replaced by a indol-3-yl group. It is an intermediate metabolite in the metabolism of tryptophan. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, a bacterial metabolite and a mouse metabolite. | C1=CC=C2C(=C1)C(=CN2)CC=O |
Indole-3-acetate is an indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid. It has a role as a human metabolite, a plant metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of an indole-3-acetic acid. | C1=CC=C2C(=C1)C(=CN2)CC(=O)[O-] |
Indole-3-acetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. It has a role as a plant hormone, a human metabolite, a plant metabolite, a mouse metabolite and an auxin. It is a monocarboxylic acid and a member of indole-3-acetic acids. It is a conjugate acid of an indole-3-acetate. | C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
3-(indol-3-yl)pyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid substituted by a 1H-indol-3-yl group at position 3. It has been found in Lycopersicon esculentum It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a 2-oxo monocarboxylic acid and an indol-3-yl carboxylic acid. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-(indol-3-yl)pyruvate. | C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O |