The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A glycophytoceramide having a 6-deoxy-6-benzamido-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. Its functional parent is phytosphingosine . It is also related to or classified as glycophytoceramide .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O</smiles> is A tripeptide composed of two L-leucine units and glycine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-leucine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-phenylalanine and L-aspartic acid joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-aspartic acid . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-threonine and L-serine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-threonine . Its functional parent is L-serine . It is also related to or classified as tripeptide  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A glycophytoceramide having a 6-deoxy-6-(N'-naphthoureido)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. Its functional parent is phytosphingosine . It is also related to or classified as glycophytoceramide .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-aspartic acid and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-aspartic acid . Its functional parent is L-tyrosine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-threonine and L-glutamine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-threonine . Its functional parent is L-glutamine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-valine and L-serine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-valine . Its functional parent is L-serine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> is A dipeptide formed L-leucine and L-valine residues. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-valine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-valine and L-aspartic acid joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-valine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .


The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(O)=O</smiles> is A dipeptide formed from L-leucine and L-methionine residues. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-methionine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-threonine and L-aspartic acid joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-threonine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-leucine and L-tryptophan residues. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-tryptophan . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-phenylalanine and L-asparagine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-asparagine . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(O)=O</smiles> is A dipeptide composed of L-leucine and L-cysteine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-cysteine . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCCN)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCCN)C(O)=O</smiles> is A tetrapeptide composed of L-lysine and three L-methionine units joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-lysine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O</smiles> is A dipeptide composed of L-leucine and L-threonine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-threonine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)NCC(O)=O</smiles> is A tripeptide composed of L-leucine, L-valine and glycine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-leucine . Its functional parent is L-valine . It is also related to or classified as tripeptide  .


The molecule <smiles>NCCCC[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>NCCCC[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tripeptide composed of L-lysine, L-aspartic acid and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-aspartic acid . Its functional parent is L-tyrosine . Its functional parent is L-lysine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O</smiles> is A dipeptide composed of L-leucine and L-lysine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-lysine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A tripeptide composed of two L-leucine units joined to L-asparagine by a peptide linkage. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-asparagine . It is also related to or classified as tripeptide  .


The molecule <smiles>NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide composed of L-lysine and L-glutamine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-lysine . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O</smiles> is A dipeptide formed from L-lysine and L-threonine residues. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-lysine . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-lysine, L-threonine and two L-proline units joined in sequence 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-lysine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-lysine and L-tyrosine residues. It has the role of metabolite . Its functional parent is L-tyrosine . Its functional parent is L-lysine . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-lysine, L-threonine, L-tryptophan and L-tyrosine joined in sequence 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-tyrosine . Its functional parent is L-lysine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CSCC[C@H](N)C(=O)N[C@@H](C)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H](C)C(O)=O</smiles> is A dipeptide formed from L-methionine and L-alanine residues. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-alanine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O</smiles> is A dipeptide formed from L-lysine and L-valine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-lysine . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](N)C(=O)NCC(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-methionine and glycine residues. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-methionine . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O</smiles> is A dipeptide composed of L-methionine and L-serine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-serine . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O</smiles> is A dipeptide formed from L-methionine and L-threonine residues. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-threonine . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-methionine and L-tyrosine residues. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide formed from L-methionine and L-proline residues. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-proline . It is also related to or classified as dipeptide  .


The molecule <smiles>NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> <smiles>NCCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-lysine and L-phenylalanine residues. It has the role of metabolite . Its functional parent is L-phenylalanine . Its functional parent is L-lysine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-leucine and L-tyrosine residues. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide composed of L-phenylalanine, L-alanine and L-proline joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-proline . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-proline and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-proline . Its functional parent is L-tyrosine . It is also related to or classified as tripeptide  .


The molecule <smiles>CSC([C@H](N)C(O)=O)C(O)=O</smiles> <smiles>CSC([C@H](N)C(O)=O)C(O)=O</smiles> is A sulfur-containing amino acid that is L-aspartic acid substituted at position 3 by a methylthio group. Its functional parent is 3-thio-L-aspartic acid . It is a conjugate acid of 3-methylthioaspartate(1-) .      It is also related to or classified as methyl sulfide  . 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 <smiles>CSCC[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> is A dipeptide formed from L-methionine and L-valine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-methionine . It is also related to or classified as dipeptide  .


The molecule <smiles>COC(=O)N[C@@H](C(O)Cc1c(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</smiles> <smiles>COC(=O)N[C@@H](C(O)Cc1c(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</smiles> is A ribonucleotide that is the 5'-monophosphate derivative of  beta-hydroxywybutosine. Its functional parent is guanosine 5'-monophosphate . Its functional parent is wybutosine 5'-monophosphate .  It is also related to or classified as methyl ester  . It is also related to or classified as carbamate ester , ribonucleotide .


The molecule <smiles>Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC(O)[C@H]([NH3+])C([O-])=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> <smiles>Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC(O)[C@H]([NH3+])C([O-])=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 7-(2-hydroxy-3-amino-3-carboxypropyl)wyosine 5'-monophosphate. It is also related to or classified as amino-acid zwitterion .


The molecule <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(O)=O</smiles> is A tripeptide composed of L-phenylalanine, L-alanine, and glycine joined by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-alanine . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .


The molecule <smiles>Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC(O)[C@H](N)C(O)=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> <smiles>Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC(O)[C@H](N)C(O)=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is A ribonucleoside 5'-monophosphate that is wyosine 5'-monophosphate substituted at position 7 by a 2-hydroxy-3-amino-3-carboxypropyl group. Its functional parent is guanosine . It is also related to or classified as ribonucleoside 5'-monophosphate .


The molecule <smiles>CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-methionine, L-alanine and L-aspartic acid joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A dipeptide composed of L-phenylalanine and L-asparagine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-asparagine . Its functional parent is L-phenylalanine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-valine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-phenylalanine . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O</smiles> is A dipeptide composed of L-phenylalanine and L-threonine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-threonine . Its functional parent is L-phenylalanine . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-tyrosine residues. It has the role of metabolite . Its functional parent is L-phenylalanine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A tripeptide composed of L-phenylalanine and two L-tryptophan units joined by peptide linkages. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O</smiles> is A tripeptide composed of L-phenylalanine, L-aspartic acid, and L-cysteine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-aspartic acid . Its functional parent is L-phenylalanine . Its functional parent is L-cysteine . It is also related to or classified as tripeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-phenylalanine and glycine residues. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-phenylalanine . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-phenylalanine, L-alanine, and L-aspartic acid joined by peptide linkages. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .


The molecule <smiles>NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-arginine residues. It has the role of metabolite . Its functional parent is L-arginine . Its functional parent is L-proline . It is also related to or classified as dipeptide  .


The molecule <smiles>OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1</smiles> <smiles>OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1</smiles> is A dipeptide formed from two L-proline residues. It has the role of Mycoplasma genitalium metabolite . It has the role of human urinary metabolite . Its functional parent is L-proline . It is also related to or classified as dipeptide  .


The molecule <smiles>OC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> <smiles>OC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-serine residues. It has the role of metabolite . Its functional parent is L-serine . Its functional parent is L-proline . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-aspartic acid residues. 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 dipeptide  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-proline, L-valine, glycine, and L-proline 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-proline . It is also related to or classified as tetrapeptide  .


The molecule <smiles>N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O</smiles> is A dipeptide formed from L-serine and L-histidine residues. It has the role of metabolite . Its functional parent is L-histidine . Its functional parent is L-serine . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide composed of L-phenylalanine and two L-proline units joined by peptide linkages. It has the role of metabolite . Its functional parent is L-proline . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .


The molecule <smiles>CSC([C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> <smiles>CSC([C@H]([NH3+])C([O-])=O)C([O-])=O</smiles> is an alpha-amino-acid anion obtained by deprotonation of the two carboxy groups and protonation of the amino group of 3-methylthioaspartic acid. It is also related to or classified as alpha-amino-acid anion , sulfur-containing amino-acid anion .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-phenylalanine, L-valine, and L-aspartic acid joined by peptide linkages. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-aspartic acid . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .


The molecule <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> 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 <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O</smiles> 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 <smiles>N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> 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 <smiles>C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O</smiles> 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 <smiles>N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> 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 <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)NCC(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)NCC(O)=O</smiles> 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 <smiles>OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1</smiles> <smiles>OC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>[O-]C(=O)[C@@H]1CCC(=O)O1</smiles> <smiles>[O-]C(=O)[C@@H]1CCC(=O)O1</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>OC(=O)[C@@H]1CCC(=O)O1</smiles> <smiles>OC(=O)[C@@H]1CCC(=O)O1</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> 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 <smiles>NC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> <smiles>NC(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> 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 <smiles>[H][C@@]1(OC(=O)C(=O)[C@H]1O)[C@@H](O)CO</smiles> <smiles>[H][C@@]1(OC(=O)C(=O)[C@H]1O)[C@@H](O)CO</smiles> 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 <smiles>[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</smiles> <smiles>[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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> 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 <smiles>COC(=O)C(C)C</smiles> <smiles>COC(=O)C(C)C</smiles> 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 <smiles>NC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> <smiles>NC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12</smiles> 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 <smiles>C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)NCC(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> 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 <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> 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 <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCC([O-])=O</smiles> <smiles>C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCCCC([O-])=O</smiles> 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 <smiles>OC(=O)CCCCCCCCCCCCCCC(O)=O</smiles> <smiles>OC(=O)CCCCCCCCCCCCCCC(O)=O</smiles> 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 <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@@H](O)CO</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@@H](O)CO</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>Clc1cccc(Cl)c1C#N</smiles> <smiles>Clc1cccc(Cl)c1C#N</smiles> 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 <smiles>[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</smiles> <smiles>[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</smiles> 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 <smiles>CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1</smiles> <smiles>CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O</smiles> <smiles>CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O</smiles> 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 <smiles>N[C@@H](C(S)C(O)=O)C(O)=O</smiles> <smiles>N[C@@H](C(S)C(O)=O)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>COC(=O)[C@@H](C)O</smiles> <smiles>COC(=O)[C@@H](C)O</smiles> 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 <smiles>COC(=O)[C@H](C)O</smiles> <smiles>COC(=O)[C@H](C)O</smiles> is A methyl 2-hydroxypropionate that has S configuration. It is also related to or classified as methyl 2-hydroxypropionate  .


The molecule <smiles>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O</smiles> <smiles>N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O</smiles> 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 <smiles>CC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O</smiles> <smiles>CC(=O)N[C@@H](CC([O-])=O)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O</smiles> 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 <smiles>CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> 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 <smiles>CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O</smiles> <smiles>CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O</smiles> 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 <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)n(C)c2=O</smiles> <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)n(C)c2=O</smiles> 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 <smiles>CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> <smiles>CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> 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 <smiles>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O</smiles> 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  .


The molecule <smiles>OC(=O)CC(Br)C(O)=O</smiles> <smiles>OC(=O)CC(Br)C(O)=O</smiles> is A dicarboxylic acid that is succinic acid substituted at position 2 by a bromine atom. Its functional parent is succinic acid . It is a conjugate acid of bromosuccinate . It is also related to or classified as 2-bromocarboxylic acid  . It is also related to or classified as dicarboxylic acid .


The molecule <smiles>[O-]C(=O)CC(Br)C([O-])=O</smiles> <smiles>[O-]C(=O)CC(Br)C([O-])=O</smiles> is A dicarboxylic acid dianion obtained by deprotonation of the two carboxy goups of bromosuccinic acid. Its functional parent is succinate(2-) . It is also related to or classified as dicarboxylic acid dianion  .


The molecule <smiles>CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-valine and L-tyrosine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O</smiles> <smiles>CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C@@H](O)[C@]1(C)O</smiles> is A macrolide antibiotic that is erythromycin A in which the ketone group has been converted into the corresponding imine and then reduced to give the corresponding amino compound (the 9S diastereoisomer). It is also related to or classified as macrolide antibiotic .


The molecule <smiles>C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-tryptophan and L-alanine residues. It has the role of metabolite . Its functional parent is L-tryptophan . Its functional parent is L-alanine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide formed from L-valine and L-proline residues. 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 dipeptide  .


The molecule <smiles>CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> <smiles>CC(C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-valine and L-asparagine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-asparagine . It is also related to or classified as dipeptide  .


The molecule <smiles>C=[N+]=[N-]</smiles> <smiles>C=[N+]=[N-]</smiles> is the simplest diazo compound, in which a diazo group is attached to a methylene group. It has the role of alkylating agent . It has the role of antineoplastic agent . It has the role of carcinogenic agent . It has the role of poison . It is also related to or classified as diazo compound .


The molecule <smiles>CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> <smiles>CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-valine and L-arginine residues. It has the role of metabolite . Its functional parent is L-valine . Its functional parent is L-arginine . It is also related to or classified as dipeptide  .


The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)NCCO</smiles> <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)NCCO</smiles> is A fatty amide obtained by the formal condensation of (11Z)-eicosaenoic acid with ethanolamine. It has the role of metabolite . Its functional parent is (11Z)-icos-11-enoic acid . It is also related to or classified as N-(monounsaturated fatty acyl)ethanolamine  .  It is also related to or classified as N-acylethanolamine  . It is also related to or classified as fatty amide .


The molecule <smiles>Cc1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O</smiles> <smiles>Cc1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O</smiles> is an aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. It has the role of carcinogenic agent . It has the role of PPARbeta/delta agonist .    It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid , aromatic ether , aryl sulfide , 1,3-thiazoles .


The molecule <smiles>CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O</smiles> <smiles>CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O</smiles> is an organoammonium salt obtained by reaction of gadoteric acid with one equivalent of 1-deoxy-1-(methylamino)-D-glucitol (meglumine). It is used in magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues of patients ages 2 years and older, to detect and visualise areas with disruption of the blood brain barrier and/or abnormal vascularity of the central nervous system. It has the role of MRI contrast agent . It is also related to or classified as gadolinium coordination entity , organoammonium salt .


The molecule <smiles>[O-]C(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O</smiles> <smiles>[O-]C(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O</smiles> is A tetracarboxylic acid anion that is the conjugate base of gadoteric acid. It is also related to or classified as tetracarboxylic acid anion .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCCCC([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCCCC([O-])=O</smiles> is A polyunsaturated fatty acid anion that is the conjugate base of (11Z,14Z)-icosadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as icosadienoate  . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as polyunsaturated fatty acid anion .


The molecule <smiles>OC(=O)\C=C\C=C\CC\C=C\C=C\C(O)=O</smiles> <smiles>OC(=O)\C=C\C=C\CC\C=C\C=C\C(O)=O</smiles> is A dodecatetraenedioic acid with double bonds at positions 2, 4, 8, and 10 (all E isomer). It has the role of metabolite . It is also related to or classified as dodecatetraenedioic acid .


The molecule <smiles>[H]C(=O)CCCC([H])=CCC=C([H])CCCCC</smiles> <smiles>[H]C(=O)CCCC([H])=CCC=C([H])CCCCC</smiles> is A tetradecadienal with double bonds at positions 5 and 8. It has the role of metabolite . It is also related to or classified as tetradecadienal .


The molecule <smiles>[H]C(=O)C([H])=CC#CC#CC#C</smiles> <smiles>[H]C(=O)C([H])=CC#CC#CC#C</smiles> is an  enynal  that is nonenal with a double bond at position 2 and triple bonds at positions 4, 6, and 8. It has the role of metabolite . It is also related to or classified as enynal .


The molecule <smiles>[O-]C(=O)CCCCCCCCCCCCCCC([O-])=O</smiles> <smiles>[O-]C(=O)CCCCCCCCCCCCCCC([O-])=O</smiles> is A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of hexadecanedioic acid; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as saturated dicarboxylic acid dianion(2-)  .


The molecule <smiles>CCCCCC(N)CC(O)=O</smiles> <smiles>CCCCCC(N)CC(O)=O</smiles> is A beta-amino acid that is caprylic acid which is substituted by an amino group at position 3. It has the role of metabolite . Its functional parent is octanoic acid . It is also related to or classified as beta-amino acid , beta-amino-fatty acid .


The molecule <smiles>CCCCC[C@@H](N)C(O)=O</smiles> <smiles>CCCCC[C@@H](N)C(O)=O</smiles> is an alpha-amino fatty acid that is heptanoic acid substituted by an amino group at position 2 (the 2R stereoisomer). It has the role of metabolite . Its functional parent is heptanoic acid . It is also related to or classified as alpha-amino fatty acid .


The molecule <smiles>OC(=O)CCCCCCCCCCCC(O)=O</smiles> <smiles>OC(=O)CCCCCCCCCCCC(O)=O</smiles> is an alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11. It has the role of metabolite . It is also related to or classified as alpha,omega-dicarboxylic acid .


The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)NCCO</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)NCCO</smiles> is A fatty amide obtained by the formal condensation of (11Z,14Z)-eicosadienoic acid with ethanolamine. It has the role of metabolite . Its functional parent is (11Z,14Z)-icosadienoic acid . It is also related to or classified as N-(polyunsaturated fatty acyl)ethanolamine  .  It is also related to or classified as N-acylethanolamine  . It is also related to or classified as fatty amide .


The molecule <smiles>CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCN(C)C</smiles> <smiles>CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCN(C)C</smiles> is A member of the class of prostaglandins Falpha that is the  dimethylamine derivative of prostaglandin F2alpha. It has the role of metabolite . Its functional parent is prostaglandin F2alpha . Its functional parent is dimethylamine . It is also related to or classified as tertiary amine  . It is also related to or classified as prostaglandins Falpha  .


The molecule <smiles>C[NH+](C)C(CCc1ncc(C[C@H]([NH3+])C([O-])=O)[nH]1)C([O-])=O</smiles> <smiles>C[NH+](C)C(CCc1ncc(C[C@H]([NH3+])C([O-])=O)[nH]1)C([O-])=O</smiles> is an amino acid zwitterion obtained by transfer of protons from the amino to the carboxy groups of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine. It is also related to or classified as amino-acid zwitterion .


The molecule <smiles>NCCCCCCCCC(O)=O</smiles> <smiles>NCCCCCCCCC(O)=O</smiles> is A omega-amino fatty acid that is nonanoic acid substituted by an amino group at position 9. It has the role of metabolite . Its functional parent is nonanoic acid . It is also related to or classified as omega-amino fatty acid .


The molecule <smiles>OC(=O)CCCCCCCCCCCCCCCCCCCCC=C</smiles> <smiles>OC(=O)CCCCCCCCCCCCCCCCCCCCC=C</smiles> is A tricosenoic acid having a double bond at position 22. It has the role of metabolite . It is also related to or classified as tricosenoic acid .


The molecule <smiles>CC(=O)CCC(=O)CCC(O)=O</smiles> <smiles>CC(=O)CCC(=O)CCC(O)=O</smiles> is A dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions. It has the role of metabolite . Its functional parent is octanoic acid . It is also related to or classified as dioxo monocarboxylic acid .


The molecule <smiles>C[N+](C)(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C([O-])=O</smiles> <smiles>C[N+](C)(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C([O-])=O</smiles> is A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxylato-3-(trimethylammonio)propyl group. It is also related to or classified as amino-acid betaine , non-proteinogenic L-alpha-amino acid , L-histidine derivative .


The molecule <smiles>CCCCCCC\C=C\C=C\CC(O)=O</smiles> <smiles>CCCCCCC\C=C\C=C\CC(O)=O</smiles> is A tridecadienoic acid with double bonds at positions 3 and 5 (both E isomer). It has the role of metabolite . It is also related to or classified as tridecadienoic acid .


The molecule <smiles>OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O</smiles> <smiles>OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O</smiles> is A gadolinium coordination entity consisting of DOTA in which the four amino groups are bound to a central gadolinium atom. It is used (as its meglumine salt) in magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues of patients ages 2 years and older, to detect and visualise areas with disruption of the blood brain barrier and/or abnormal vascularity of the central nervous system. It has the role of MRI contrast agent . It is a conjugate acid of gadoterate . It is also related to or classified as gadolinium coordination entity .


The molecule <smiles>[NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O</smiles> <smiles>[NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O</smiles> is an organic cation obtained by protonation of the exocyclic amino group of 5-aminomethyl-2-thiouridine. It is a conjugate acid of 5-aminomethyl-2-thiouridine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>CCCC\C=C/C#CC#CC(O)CCCCCCC(O)=O</smiles> <smiles>CCCC\C=C/C#CC#CC(O)CCCCCCC(O)=O</smiles> is an octadecenediynoic acid that is stearic acid with a cis double bond at position 13, two triple bonds at positions 9 and 11, and a hydroxy group at C-8. It has the role of metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as hydroxy fatty acid , octadecenediynoic acid .


The molecule <smiles>CC[C@H]1O[C@H]([C@H](O)[C@@H]1OC)n1cc(CN)c(=O)[nH]c1=S</smiles> <smiles>CC[C@H]1O[C@H]([C@H](O)[C@@H]1OC)n1cc(CN)c(=O)[nH]c1=S</smiles> is the nucleoside residue formed from 5-aminomethyl-2-thiouridine with linkages at the 3' and 5' positions. It is also related to or classified as nucleoside residue .


The molecule <smiles>C[C@H](N)C(=O)NCC(O)=O</smiles> <smiles>C[C@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-alanyl and glycine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H]([NH3+])C(=O)NCC([O-])=O</smiles> <smiles>C[C@H]([NH3+])C(=O)NCC([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Gly. It is also related to or classified as dipeptide zwitterion  .


The molecule <smiles>CNNC</smiles> <smiles>CNNC</smiles> is A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice. It has the role of alkylating agent . It has the role of carcinogenic agent . It is also related to or classified as hydrazines  .


The molecule <smiles>CCCCCCCC(O)C(O)=O</smiles> <smiles>CCCCCCCC(O)C(O)=O</smiles> is A monohydroxy fatty acid that is nonanoic acid with a hydroxy group substituted at position C-2. It has the role of metabolite . Its functional parent is nonanoic acid . It is also related to or classified as 2-hydroxy fatty acid  . It is also related to or classified as medium-chain fatty acid  .


The molecule <smiles>[H]C(=CCCCCCCCCC(=O)OC)C1C2CC(OO2)C1C([H])=CC(CC)OO</smiles> <smiles>[H]C(=CCCCCCCCCC(=O)OC)C1C2CC(OO2)C1C([H])=CC(CC)OO</smiles> is A lipid hydroperoxide that consists of 2,3-dioxabicyclo[2.2.1]heptane substituted by a 11-methoxy-11-oxoundec-1-en-1-yl and a 3-hydroperoxypent-1-en-1-yl groups at positions 5 and 6 respectively.  It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as hydroperoxy fatty ester .


The molecule <smiles>C[NH2+][NH2+]C</smiles> <smiles>C[NH2+][NH2+]C</smiles> is an organic cation resulting from the protonation of both of the nitrogens of 1,2-dimethylhydrazine. It is a conjugate acid of 1,2-dimethylhydrazine . It is also related to or classified as organic cation .


The molecule <smiles>OC[C@@H](O)[C@@H]1O[C@H]1\C=C\[C@@H]1O[C@H]1[C@H](O)C=C</smiles> <smiles>OC[C@@H](O)[C@@H]1O[C@H]1\C=C\[C@@H]1O[C@H]1[C@H](O)C=C</smiles> is A polyketide that is depudecin with a methyl hydrogen substituted with a hydroxy group. It has the role of metabolite . Its functional parent is depudecin . It is also related to or classified as polyketide  . It is also related to or classified as epoxide  .


The molecule <smiles>CCCCCC(O)C(O)=O</smiles> <smiles>CCCCCC(O)C(O)=O</smiles> is A monohydroxy fatty acid that is heptanoic acid with a hydroxy group substituted at position C-2. It has the role of metabolite . Its functional parent is heptanoic acid . It is also related to or classified as 2-hydroxy fatty acid  .


The molecule <smiles>CCCCC\C=C/C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O</smiles> <smiles>CCCCC\C=C/C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O</smiles> is A  clavulone that is a chlorinated prostanoid isolated from marine corals. It is also related to or classified as methyl ester  .  It is also related to or classified as acetate ester  . It is also related to or classified as clavulone , alpha-chloroketone .


The molecule <smiles>NCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O</smiles> <smiles>NCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O</smiles> is A nucleoside analogue having 5-aminomethyl-2-thiouracil as the modified nucleobase. Its functional parent is uridine . It is also related to or classified as nucleoside analogue .


The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O</smiles> <smiles>C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Thr. It is also related to or classified as dipeptide zwitterion  .


The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-threonine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C([O-])=O</smiles> <smiles>C[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-His. It is also related to or classified as dipeptide zwitterion  .


The molecule <smiles>Cl.Cl.CNNC</smiles> <smiles>Cl.Cl.CNNC</smiles> is A hydrochloride resulting from the reaction of 1,2,dimethylhydrazine with 2 mol eq. of hydrogen chloride. It is also related to or classified as hydrochloride .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-histidine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>COc1cc(ccc1O)C1CC(=O)c2ccc(O)c(OC)c2O1</smiles> <smiles>COc1cc(ccc1O)C1CC(=O)c2ccc(O)c(OC)c2O1</smiles> is A dihydroxyflavanone having the two hydroxy groups located at the C-4' and -7 positions and two additional methoxy substituent at the C-3' and 8-positions. It has the role of metabolite . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as 3'-methoxyflavanones  . It is also related to or classified as dimethoxyflavanone , dihydroxyflavanone .


The molecule <smiles>[NH3+]CC(=O)N[C@@H](CCC([O-])=O)C([O-])=O</smiles> <smiles>[NH3+]CC(=O)N[C@@H](CCC([O-])=O)C([O-])=O</smiles> is A peptide anion that is the conjugate base of Gly-Glu, obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group. It is also related to or classified as peptide anion .


The molecule <smiles>NCC(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>NCC(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from glycyl and L-glutamic acid residues. It has the role of metabolite . It is a conjugate acid of Gly-Glu(1-) . It is also related to or classified as dipeptide  .


The molecule <smiles>CN(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C(O)=O</smiles> <smiles>CN(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C(O)=O</smiles> is A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxy-3-(dimethylamino)propyl group. It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-histidine derivative .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu. It is also related to or classified as dipeptide zwitterion  .


The molecule <smiles>O=C1c2ccc3occc3c2O\C1=C/c1ccccc1</smiles> <smiles>O=C1c2ccc3occc3c2O\C1=C/c1ccccc1</smiles> is A member of the class of aurones that is aurone with a furan ring fused across positions C-6, and -7. It has the role of metabolite . Its functional parent is aurone .  It is also related to or classified as aurones  . It is also related to or classified as cyclic ketone .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C([O-])=O</smiles> <smiles>C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Gln. It is also related to or classified as dipeptide zwitterion  .


The molecule <smiles>Cc1cc(ccc1OCC(O)=O)S(=O)(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F</smiles> <smiles>Cc1cc(ccc1OCC(O)=O)S(=O)(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F</smiles> is A sulfone resulting from the oxidation of the sulfur attached to one of the phenyl groups of GW 501516. It is a urinary metabolite of GW 501516 (a failed drug candidate and gene doping agent whose use by athletes has been prohibited by the World Anti-Doping Agency), so detection of the sulfone in sports drugs testing can be used to prove GW 501516 doping. Its functional parent is GW 501516 . Its functional parent is GW 501516 sulfoxide .   It is also related to or classified as sulfone  . It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid , aromatic ether , 1,3-thiazoles .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO</smiles> is A 1-monoglyceride that has stearoyl as the acyl group. It has the role of Caenorhabditis elegans metabolite . It has the role of algal metabolite . It is also related to or classified as 1-acylglycerol 18:0  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-O-acyl group is specified as arachidonoyl. It has the role of metabolite . Its functional parent is arachidonic acid . It is a conjugate acid of 1-arachidonoyl-sn-glycerol 3-phosphate(2-) . It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate  .


The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> is A phosphatidylcholine 32:1 in which the acyl groups at C-1 and C-2 are tetradecanoyl and (11Z)-octadec-11-enoyl respectively. It has the role of mouse metabolite . Its functional parent is cis-vaccenic acid . It is also related to or classified as phosphatidylcholine 32:1  . It is also related to or classified as tetradecanoate ester  .


The molecule <smiles>O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O</smiles> <smiles>O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O</smiles> is A member of the class of prostaglandins Falpha that is latanoprost free acid with a double bond at position 13. It has the role of metabolite . Its functional parent is latanoprost free acid . It is also related to or classified as prostaglandins Falpha  .


The molecule <smiles>CC(C)=CCc1c2OC(C)(C)C=Cc2cc2C(=O)C[C@H](Oc12)c1c(O)c(O)cc(c1O)-c1ccc(O)cc1O</smiles> <smiles>CC(C)=CCc1c2OC(C)(C)C=Cc2cc2C(=O)C[C@H](Oc12)c1c(O)c(O)cc(c1O)-c1ccc(O)cc1O</smiles> is an extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 2', 3', and 6', a 2,4-dihyroxyphenyl group at position 5', a prenyl group at position 8 and a gem-dimethylpyran ring fused across positions 6 and 7. It has the role of metabolite . It is also related to or classified as resorcinols , trihydroxyflavanone , extended flavonoid , pyranochromane .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-aspartic acid residues. It has the role of metabolite . It is a conjugate acid of Ala-Asp(1-) . It is also related to or classified as dipeptide  .


The molecule <smiles>Cc1cc(ccc1OCC(O)=O)S(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F</smiles> <smiles>Cc1cc(ccc1OCC(O)=O)S(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F</smiles> is A sulfoxide resulting from the oxidation of the sulfur attached to one of the phenyl groups of GW 501516. It is a urinary metabolite of GW 501516 (a failed drug candidate and gene doping agent whose use by athletes has been prohibited by the World Anti-Doping Agency), so detection of the sulfoxide in sports drugs testing can be used to prove GW 501516 doping. Its functional parent is GW 501516 . It is also related to or classified as sulfoxide  .   It is also related to or classified as organofluorine compound  . It is also related to or classified as monocarboxylic acid , aromatic ether , 1,3-thiazoles .


The molecule <smiles>O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H]1O</smiles> <smiles>O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 4', and a (6''-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy residue at position 7. It has the role of metabolite . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as gallate ester , dihydroxyflavanone , monosaccharide derivative , flavanone glycoside .


The molecule <smiles>CCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 14:1 in which the remaining acyl group is (9Z)-tetradecenoyl. It is also related to or classified as lysophosphatidylcholine 14:1  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP([O-])([O-])=O</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP([O-])([O-])=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-arachidonoyl-sn-glycero-3-phosphate. It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate(2-)  .


The molecule <smiles>CO\C(=C/C(=O)c1ccccc1)c1c(OC)cc2OC(C)(C)C=Cc2c1OC</smiles> <smiles>CO\C(=C/C(=O)c1ccccc1)c1c(OC)cc2OC(C)(C)C=Cc2c1OC</smiles> is A member of the class of chalcones that is chalcone substituted by methoxy groups at positions 2', 6' and 9 and a dimethylpyrano ring substituted across positions 3' and 4'. It has the role of metabolite . It is also related to or classified as chalcones  . It is also related to or classified as enol ether  .


The molecule <smiles>[O-][N+](=O)C1=CCCCC1</smiles> <smiles>[O-][N+](=O)C1=CCCCC1</smiles> is A C-nitro compound that is cyclohexene substituted at position 1 by a nitro group. It is also related to or classified as carbocyclic compound , C-nitro compound .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 38:6 in which the acyl groups at C-1 and C-2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as phosphatidylcholine 38:6  .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-isoleucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-methionine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-phenylalanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H]([NH3+])C(=O)N[C@@H](CC([O-])=O)C([O-])=O</smiles> <smiles>C[C@H]([NH3+])C(=O)N[C@@H](CC([O-])=O)C([O-])=O</smiles> is A peptide anion obtained by protonation of the amino group and deprotonation of the two carboxy groups of Ala-Asp. It is also related to or classified as peptide anion .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> <smiles>NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-tryptophan residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-methionine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-isoleucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-asparagine and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-tyrosine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-tryptophan residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-valine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-serine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from two L-arginine residues. It has the role of Mycoplasma genitalium metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-aspartic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](NC(=O)CCN)C(O)=O</smiles> <smiles>C[C@H](NC(=O)CCN)C(O)=O</smiles> is A dipeptide formed from beta-alanine and L-alanine residues. It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-valine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-glutamine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>NCCC(=O)NCC(O)=O</smiles> <smiles>NCCC(=O)NCC(O)=O</smiles> is A dipeptide formed from beta-alanine and glycine residues. It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-asparagine and L-valine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(O)=O</smiles> <smiles>CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(O)=O</smiles> is A dipeptide formed from two D-leucine residues. It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](C)N)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](C)N)C(O)=O</smiles> is A dipeptide formed from D-alanine and L-leucine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen. It has the role of human xenobiotic metabolite . It has the role of human blood serum metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@H](CCC(=O)NCC(O)=O)C(O)=O</smiles> <smiles>N[C@H](CCC(=O)NCC(O)=O)C(O)=O</smiles> is A dipeptide formed from D-gamma-glutamyl and glycine residues. It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@@H](N)C(=O)NCC(O)=O</smiles> <smiles>C[C@@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from D-alanine and glycine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@@H](N)C(=O)NCC(=O)NCC(O)=O</smiles> <smiles>C[C@@H](N)C(=O)NCC(=O)NCC(O)=O</smiles> is A tripeptide composed of one D-alanine and two glycine residues joined in sequence. It has the role of metabolite . It is also related to or classified as tripeptide  .


The molecule <smiles>N[C@@H](CCC(N)=O)C(=O)NCC(O)=O</smiles> <smiles>N[C@@H](CCC(N)=O)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-glutamine and glycine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-valine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-glutamyl and L-alanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@@H](N)C(=O)NCC(O)=O</smiles> <smiles>CC(C)C[C@@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from D-leucine and glycine residues. It is also related to or classified as dipeptide  .


The molecule <smiles>CCCCCC\C=C/CCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCC\C=C/CCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A  1-O-acyl-sn-glycero-3-phosphocholine in which the  1-acyl group is (10Z)-heptadecenoyl. It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine(1+)  . It is also related to or classified as lysophosphatidylcholine 17:1  .


The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-tryptophan residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>NCCC(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> <smiles>NCCC(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from beta-alanine and L-phenylalanine residues. It is also related to or classified as dipeptide  .


The molecule <smiles>N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from two L-glutamine residues. It has the role of Mycoplasma genitalium metabolite . Its functional parent is L-glutamine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from D-leucine and L-tyrosine residues. It is also related to or classified as dipeptide  .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoic acid. It is a conjugate acid of (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA(4-) . It is also related to or classified as 3-oxo-fatty acyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .


The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> is A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA. It is also related to or classified as 3-oxo-fatty acyl-CoA(4-)  .


The molecule <smiles>N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-glutamine and L-glutamic acid residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12</smiles> is A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA. It is also related to or classified as 3-oxo-fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .


The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoic acid. It is a conjugate acid of (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA(4-) . It is also related to or classified as 3-oxo-fatty acyl-CoA  . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .


The molecule <smiles>[H]C(=O)CCCNC(C)=O</smiles> <smiles>[H]C(=O)CCCNC(C)=O</smiles> is 4-acetamidobutanal. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is butanal . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as alpha-CH2-containing aldehyde  .


The molecule <smiles>C[C@H](NC(=O)CN)C(O)=O</smiles> <smiles>C[C@H](NC(=O)CN)C(O)=O</smiles> is A dipeptide formed from glycine and L-alanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 40:5 in which the acyl groups at C-1 and C-2 are octadecanoyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively. Its functional parent is octadecanoic acid . Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid . It is also related to or classified as phosphatidylcholine (18:0/22:5)  .


The molecule <smiles>CCCCCCCCCCCCCC\C=C/OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> <smiles>CCCCCCCCCCCCCC\C=C/OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A  lysophosphatidylcholine P-16:0 in which the alk-1-enyl group is hexadec-1-en-1-yl. It is also related to or classified as lysophosphatidylcholine (P-16:0/0:0)  .


The molecule <smiles>O(C(=O)CCCCCCC/C=C\CCCCCC)C[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])O</smiles> <smiles>O(C(=O)CCCCCCC/C=C\CCCCCC)C[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])O</smiles> is A  1-O-acyl-sn-glycero-3-phosphocholine in which the 1-acyl group is (9Z)-hexadecenoyl (palmitoleoyl). It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is palmitoleic acid . It is also related to or classified as [(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine  . It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine 16:1 .


The molecule <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OCCCCCCCCCCCCCCCC</smiles> <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OCCCCCCCCCCCCCCCC</smiles> is A dialkylglycerophosphoethanolamine in which the alkyl groups are hexadecyl and the glycerol core has sn stereochemistry with the phosphoethanolamine unit at position 3. It has the role of microarray analysis reagent . It is also related to or classified as dialkylglycerophosphoethanolamine .


The molecule <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)OCCCCCCCCCCCCCCCC</smiles> <smiles>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCNC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)OCCCCCCCCCCCCCCCC</smiles> is an N-glycosylated dialkylglycerophosphoethanolamine in which the alkyl groups are hexadecyl, the glycerol core has sn stereochemistry and the phosphoethanolamine unit is at position 3 and substituted on nitrogen with the branched heptasaccharide beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc. Its functional parent is 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine . It is also related to or classified as N-glycosylated dialkylglycerophosphoethanolamine .