anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of L-threonine, L-alanine, and L-aspartic acid joined by peptide linkages. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of two L-phenylalanine units and L-aspartic acid joined by peptide linkages. It has the role of metabolite . Its functional parent is L-aspartic acid . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O is A tripeptide composed of L-threonine and two L-alanine units joined by peptide linkages. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .
The molecule N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A dipeptide formed from L-serine and L-tyrosine residues. It has the role of metabolite . Its functional parent is L-serine . Its functional parent is L-tyrosine . It is also related to or classified as secondary carboxamide  . It is also related to or classified as primary alcohol  . It is also related to or classified as phenols  . It is also related to or classified as dipeptide  .
The molecule C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O is A tripeptide composed of L-phenylalanine, L-tryptophan, and L-alanine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-alanine . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .
The molecule N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O is A dipeptide formed from two L-serine residues. It has the role of Mycoplasma genitalium metabolite . Its functional parent is L-serine . It is also related to or classified as dipeptide  .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O is A tripeptide composed of L-threonine, L-alanine, and L-histidine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-histidine . Its functional parent is L-threonine . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O is A tripeptide composed of L-threonine, L-aspartic acid, and glycine joined by a peptide linkage. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-threonine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)NCC(O)=O CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)NCC(O)=O is A tetrapeptide composed of L-proline, L-tryptophan, L-valine, and glycine joined by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-valine . Its functional parent is L-tryptophan . Its functional parent is L-proline . It is also related to or classified as tetrapeptide  .
The molecule OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 is A tripeptide composed of three L-proline units joined by peptide linkages. It has the role of metabolite . Its functional parent is L-proline . It is also related to or classified as tripeptide  .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O is A tripeptide composed of L-threonine, L-alanine, and L-serine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-alanine . Its functional parent is L-serine . It is also related to or classified as tripeptide  .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A dipeptide composed of L-threonine and L-tyrosine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of L-threonine, L-tryptophan, and L-aspartic acid joined by peptide linkages. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-threonine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule [O-]C(=O)[C@@H]1CCC(=O)O1 [O-]C(=O)[C@@H]1CCC(=O)O1 is A monocarboxylic acid anion that is the conjugate base of (S)-alpha-hydroxyglutaric acid-gamma-lactone, obatined by deprotonation of the carboxy group. Its functional parent is (S)-2-hydroxyglutarate(2-) . It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O is A dipeptide formed from L-threonine and L-proline residues. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-proline . It is also related to or classified as dipeptide  .
The molecule C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A tripeptide composed of L-threonine, L-proline, and L-tyrosine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-proline . Its functional parent is L-tyrosine . It is also related to or classified as tripeptide  .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of two L-threonine units and L-aspartic acid joined by peptide linkages. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule OC(=O)[C@@H]1CCC(=O)O1 OC(=O)[C@@H]1CCC(=O)O1 is A butan-4-olide obtained by formal intramolecular condensation between the 2-hydroxy and 4-carboxy groups of (S)-2-hydroxyglutaric acid. Its functional parent is (S)-2-hydroxyglutaric acid . It is a conjugate acid of (S)-alpha-hydroxyglutarate-gamma-lactone . It is also related to or classified as butan-4-olide , monocarboxylic acid .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O is A dipeptide composed of L-threonine and L-tryptophan joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-threonine . It is also related to or classified as dipeptide  .
The molecule NC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 NC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is an organophosphate oxoanion that is the conjugate base of carbamoyl adenylate, obtained by deprotonation of the phosphate group. It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@@]1(OC(=O)C(=O)[C@H]1O)[C@@H](O)CO [H][C@@]1(OC(=O)C(=O)[C@H]1O)[C@@H](O)CO is A ketoaldonolactone obtained by formal intramolecular condensation between the carboxy group and the 4-hydroxy group of L-xylo-hex-2-ulonic acid. It is also related to or classified as ketoaldonolactone .
The molecule [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O [H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O is A monohydroxy-5beta-cholanic acid in which the hydroxy group is located at the 7alpha-position. A structural derivative of the bile acid, chenodeoxycholic acid. It has the role of human metabolite .   It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as bile acid , monohydroxy-5beta-cholanic acid .
The molecule NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](COC(N)=O)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](COC(N)=O)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O is A carbamoylkanamycin that is tobramycin bearing a single carbamoyl substituent located at position 6'' (on the 3-aminoglucose ring). Its functional parent is tobramycin . It is also related to or classified as carbamoylkanamycin .
The molecule NC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)C[C@H]3[NH3+])[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O NC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)C[C@H]3[NH3+])[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O is an organic cation obtained by protonation of the five amino groups of nebramycin 5'. Its functional parent is tobramycin(5+) . It is a conjugate acid of nebramycin 5' . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O is A dipeptide composed of L-threonine and L-histidine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-histidine . Its functional parent is L-threonine . It is also related to or classified as dipeptide  .
The molecule COC(=O)C(C)C COC(=O)C(C)C is the fatty acid methyl ester of isobutyric acid. It has the role of metabolite . Its functional parent is isobutyric acid . It is also related to or classified as fatty acid methyl ester  .
The molecule NC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 NC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 is A purine ribonucleoside 5'-monophosphate that is AMP in which one of the phosphate OH groups substituted by a carbamoyl group. Its functional parent is adenosine 5'-monophosphate . It is a conjugate acid of carbamoyl adenylate(1-) . It is also related to or classified as purine ribonucleoside 5'-monophosphate .
The molecule C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O is A tripeptide composed of L-tryptophan, L-alanine, and glycine joined by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-tryptophan . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .
The molecule NC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O NC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H]([NH3+])[C@@H]1O is an organic cation obtained by protonation of the four amino groups of 6''-O-carbamoylkanamycin A. Its functional parent is kanamycin A(4+) . It is a conjugate acid of 6''-O-carbamoylkanamycin A . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@@H](O)[C@H](NC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O C[C@@H](O)[C@H](NC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O is A threonine derivative that is L-threonine in which one of the amino hydrogens is substituted by and adenyloxycarbonyl group. Its functional parent is adenosine 5'-monophosphate . It is also related to or classified as purine ribonucleoside 5'-monophosphate , L-threonine derivative .
The molecule NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](COC(N)=O)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](COC(N)=O)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A carbamoylkanamycin that is kanamycin A bearing a single carbamoyl substituent located at position 6'' (on the 3-aminoglucose ring). Its functional parent is kanamycin A . It is also related to or classified as carbamoylkanamycin .
The molecule CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O is A dipeptide composed of N-acetyl-L-aspartic acid and L-glutamic acid joined by a peptide linkage. It has the role of human metabolite . Its functional parent is L-glutamic acid . Its functional parent is N-acetyl-L-aspartic acid . It is a conjugate acid of Ac-Asp-Glu(3-) . It is also related to or classified as dipeptide  .
The molecule N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O is A tripeptide composed of L-tryptophan, L-aspartic acid, and L-serine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-aspartic acid . Its functional parent is L-serine . It is also related to or classified as tripeptide  .
The molecule N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O is A dipeptide formed from L-tryptophan and L-serine residues. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-serine . It is also related to or classified as dipeptide  .
The molecule C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of L-tryptophan, L-alanine, and L-aspartic acid joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCC([O-])=O C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCC([O-])=O is A dicarboxylic acid monoanion that is the conjugate base of O-suberoylcarnitine; major spoecies at pH 7.3. It is also related to or classified as O-carboxyacyl-L-carnitine(1-)  .
The molecule OC(=O)CCCCCCCCCCCCCCC(O)=O OC(=O)CCCCCCCCCCCCCCC(O)=O is an alpha,omega-dicarboxylic acid that is the 1,14-dicarboxy derivative of tetradecane. It has the role of human metabolite . It is a conjugate acid of hexadecanedioate(2-) . It is also related to or classified as dicarboxylic fatty acid , alpha,omega-dicarboxylic acid .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@@H](O)CO CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@@H](O)CO is A 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1-acyl substituent is specified as hexadecanoyl (palmitoyl). Its functional parent is hexadecanoic acid . It is a conjugate acid of 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) . It is also related to or classified as 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)  .
The molecule C[C@@H](O)[C@H](NC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C([O-])=O C[C@@H](O)[C@H](NC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C([O-])=O is an organophosphate oxoanion obtained by deprotonation of the phosohate and carboxy groups of L-threonylcarbamoyladenylate. It is also related to or classified as alpha-amino-acid anion , organophosphate oxoanion .
The molecule Clc1cccc(Cl)c1C#N Clc1cccc(Cl)c1C#N is A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide. It has the role of herbicide . It has the role of agrochemical . It has the role of xenobiotic . It has the role of cellulose synthesis inhibitor . It has the role of environmental contaminant . Its functional parent is benzonitrile . It is also related to or classified as nitrile  . It is also related to or classified as dichlorobenzene  .
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12 is A C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9R diastereoisomer). It has the role of metabolite . It has the role of laxative .  It is also related to or classified as phenols  . It is also related to or classified as C-glycosyl compound , cyclic ketone , anthracenes .
The molecule CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 is A tetrol that is butane which is substituted at positions 2 and 3 by 3,4-dihydroxybenzyl groups. Masoprocol, the meso-form found in the leaves of the creosote bush (Larrea divaricata), is a potent lipoxygenase inhibitor. It has the role of ferroptosis inhibitor . It has the role of geroprotector . It has the role of antioxidant . It has the role of plant metabolite . It is also related to or classified as lignan  . It is also related to or classified as catechols  . It is also related to or classified as tetrol .
The molecule C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO is A 3-oxo-5beta-steroid formed from corticosterone by reduction across the C4-C5 double bond. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is corticosterone . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as 3-oxo-5beta-steroid  .  It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as 21-hydroxy steroid , 20-oxo steroid .
The molecule C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O C[C@]12CCC(=O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O is A 3-oxo-5beta-steroid formed from aldosterone by reduction across the C4-C5 double bond. It has the role of mouse metabolite . It has the role of human xenobiotic metabolite . Its functional parent is aldosterone .  It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as 3-oxo-5beta-steroid  . It is also related to or classified as 11beta-hydroxy steroid  . It is also related to or classified as steroid aldehyde , 20-oxo steroid , 18-oxo steroid .
The molecule C1(C=C[C@@](C=C1NC(/C=C/C=C/C=C/C2CCCCC2)=O)(/C=C/C=C/C=C/C(NC3=C(CCC3=O)O)=O)O)=O C1(C=C[C@@](C=C1NC(/C=C/C=C/C=C/C2CCCCC2)=O)(/C=C/C=C/C=C/C(NC3=C(CCC3=O)O)=O)O)=O is A tertiary alcohol that is protoasukamycin in which the 2,4-disubstituted phenol moiety has been oxidised to give the corresponding 2,4-disubstituted 4-hydroxycyclohexa-2,5-dienone. It is a precursor in the biosynthesis of asukamycin. It has the role of bacterial metabolite . Its functional parent is protoasukamycin . It is also related to or classified as secondary carboxamide  . It is also related to or classified as polyketide  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as enol  .  It is also related to or classified as enone  . It is also related to or classified as enamide  . It is also related to or classified as cyclic ketone .
The molecule CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Met-Ala. It is also related to or classified as dipeptide zwitterion  .
The molecule N[C@@H](C(S)C(O)=O)C(O)=O N[C@@H](C(S)C(O)=O)C(O)=O is A sulfur-containing amino acid that is L-aspartic acid substituted at position 3 by a thio (sulfanyl) group.  It is also related to or classified as thiol  . It is also related to or classified as sulfur-containing amino acid , amino dicarboxylic acid , C4-dicarboxylic acid , non-proteinogenic L-alpha-amino acid , L-aspartic acid derivative .
The molecule COC(=O)N[C@@H](CCc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)OC COC(=O)N[C@@H](CCc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)OC is A ribonucleotide that is the 5'-monophosphate derivative of wybutosine. Its functional parent is guanosine 5'-monophosphate .  It is also related to or classified as methyl ester  . It is also related to or classified as carbamate ester , ribonucleotide , organic heterotricyclic compound .
The molecule COC(=O)[C@@H](C)O COC(=O)[C@@H](C)O is A methyl lactate that has R configuration. Its functional parent is (R)-lactic acid . It is also related to or classified as methyl 2-hydroxypropionate  .
The molecule COC(=O)[C@H](C)O COC(=O)[C@H](C)O is A methyl 2-hydroxypropionate that has S configuration. It is also related to or classified as methyl 2-hydroxypropionate  .
The molecule N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O is A dipeptide formed from L-tyrosine and L-histidine residues. It has the role of metabolite . Its functional parent is L-histidine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .
The molecule CC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O CC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O is A peptide anion obtained by deprotonation of the three carboxy groups of N-acetyl-Asp-Glu; major species at pH 7.3. It is also related to or classified as peptide anion .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O is A tripeptide composed of L-valine, L-asparagine, and L-proline joined by peptide linkages. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-asparagine . Its functional parent is L-proline . It is also related to or classified as tripeptide  .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O is A dipeptide formed from L-valine and L-histidine residues. It has the role of metabolite . Its functional parent is L-histidine . Its functional parent is L-valine . It is also related to or classified as dipeptide  .
The molecule CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)n(C)c2=O CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)n(C)c2=O is A nucleotide residue derived from N(1)-methylguanosine 5'-monophosphate with linkages at the 3'- and 5'-positions. It is a conjugate acid of N(1)-methylguanosine 5'-monophosphate(1-) residue . It is also related to or classified as nucleotide residue .
The molecule CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O is A dipeptide formed from two L-valine residues. It has the role of Mycoplasma genitalium metabolite . Its functional parent is L-valine . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O is A tripeptide composed of L-valine and two L-proline units joined by peptide linkages. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-proline . It is also related to or classified as tripeptide  .