anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C[N+](C)(C)C)SC(C)=O CC(C[N+](C)(C)C)SC(C)=O is A quaternary ammonium ion that is the S-acetyl derivative of beta-methylthiocholine. It is also related to or classified as quaternary ammonium ion  .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O is A pentapeptide composed of two L-glutamic acid units, L-glutamine and L-tryptophan joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-tryptophan . It is also related to or classified as tetrapeptide  .
The molecule C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O is A tripeptide composed of L-glutamic acid, L-alanine and L-tryptophan joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-tryptophan . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .
The molecule C[N+](C)(C)CCP(O)(O)=O C[N+](C)(C)CCP(O)(O)=O is A quaternary ammonium ion where three methyl groups and one 2-phosphoethyl group are attached to the nitrogen. It has the role of mouse metabolite . Its functional parent is phosphonic acid . It is also related to or classified as quaternary ammonium ion  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O is A tripeptide composed of L-glutamic acid, L-aspartic acid and L-isoleucine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-aspartic acid . Its functional parent is L-isoleucine . It is also related to or classified as tripeptide  .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(O)=O is A tripeptide composed of one L-glutamic acid and two L-cysteine units joined by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-cysteine . It is also related to or classified as tripeptide  .
The molecule [H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C([O-])=O)c3nc2c1 [H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C([O-])=O)c3nc2c1 is an L-alpha-amino-acid anion that is the conjugate base of grixazone A, obtained by deprotonation of the carboxy group. It is also related to or classified as L-alpha-amino acid anion  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O is A tripeptide composed of two L-glutamic acid units and L-isoleucine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-isoleucine . It is also related to or classified as tripeptide  .
The molecule C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A tetrapeptide composed of L-glutamic acid, two L-threonine units and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-threonine . Its functional parent is L-tyrosine . It is also related to or classified as tetrapeptide  .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O is A tetrapeptide composed of L-glutamic acid, L-phenylalanine and two L-glutamine units joined by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-phenylalanine . Its functional parent is L-glutamine . It is also related to or classified as tetrapeptide  .
The molecule CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1ccc(O)cc1 CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1ccc(O)cc1 is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O is A tripeptide composed of L-glutamic acid, glycine and L-tryptophan joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-glutamic acid . Its functional parent is L-tryptophan . It is also related to or classified as tripeptide  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O is A tripeptide composed of L-glutamic acid, L-isoleucine and L-phenylalanine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-isoleucine . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O is A dipeptide composed of L-glutamic acid and L-aspartic acid joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-aspartic acid . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O is A tripeptide composed of L-glutamic acid, L-phenylalanine and L-valine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-valine . Its functional parent is L-phenylalanine . It is also related to or classified as tripeptide  .
The molecule CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O is A dipeptide composed of L-glutamic acid and L-methionine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-methionine . It is also related to or classified as dipeptide  .
The molecule N[C@@H](CCC(O)=O)C(=O)NCC(O)=O N[C@@H](CCC(O)=O)C(=O)NCC(O)=O is A dipeptide composed of L-glutamic acid and glycine joined by a peptide linkage. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-glutamic acid . It is also related to or classified as dipeptide  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O is A tripeptide composed of L-glutamic acid, L-isoleucine and L-valine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-valine . Its functional parent is L-isoleucine . It is also related to or classified as tripeptide  .
The molecule C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O is A dipeptide composed of L-glutamic acid and L-threonine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-threonine . It is also related to or classified as dipeptide  .
The molecule OC(=O)CCCC#C OC(=O)CCCC#C is A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as hexynoic acid .
The molecule N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O is A dipeptide composed of L-glutamic acid and L-proline joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-proline . It is also related to or classified as dipeptide  .
The molecule CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(O)=O CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(O)=O is A tripeptide composed of L-glutamic acid and two L-valine units joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-valine . It is also related to or classified as tripeptide  .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O is A dipeptide composed of L-glutamic acid and L-tryptophan joined by a peptide linkage. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of immunomodulator . It has the role of angiogenesis modulating agent . Its functional parent is L-glutamic acid . Its functional parent is L-tryptophan . It is also related to or classified as dipeptide  .
The molecule NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A dipeptide composed of L-glutamic acid and L-tyrosine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O is A tripeptide composed of L-glutamic acid, L-isoleucine and L-serine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-serine . Its functional parent is L-isoleucine . It is also related to or classified as tripeptide  .
The molecule CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A tetrapeptide composed of L-isoleucine, L-leucine, L-valine 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-valine . Its functional parent is L-isoleucine . Its functional parent is L-tyrosine . It is also related to or classified as tetrapeptide  .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O is A tripeptide composed of two L-glutamic acid and one glycine residues joined in sequence. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-glutamic acid . It is also related to or classified as tripeptide  .
The molecule CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C([O-])=O)C([O-])=O CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C([O-])=O)C([O-])=O is an L-alpha-amino-acid anion obtained by deprotonation of the two carboxy groups of grixazone B. It is also related to or classified as L-alpha-amino acid anion  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of L-leucine L-alanine, 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-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .
The molecule CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O is A tetrapeptide composed of L-isoleucine, L-leucine and two L-tryptophan units joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-tryptophan . Its functional parent is L-isoleucine . It is also related to or classified as tetrapeptide  .
The molecule CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O is A dipeptide composed of L-glutamic acid and L-leucine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-glutamic acid . It is also related to or classified as dipeptide  .
The molecule N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O is A dipeptide composed of L-glutamic acid and L-serine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-serine . It is also related to or classified as dipeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O is A dipeptide composed of L-leucine and L-arginine joined by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-arginine . It is also related to or classified as dipeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O is A tetrapeptide composed of L-leucine, two L-serine units 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-serine . Its functional parent is L-tyrosine . It is also related to or classified as tetrapeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O is A dipeptide composed of L-leucine and L-asparagine joined 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 dipeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O is A tripeptide composed of L-leucine, L-alanine 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-alanine . Its functional parent is L-serine . It is also related to or classified as tripeptide  .
The molecule CCCCC\C=C/C\C=C/CCCCCCCCO CCCCC\C=C/C\C=C/CCCCCCCCO is A long chain fatty alcohol that is octadecanol containing two double bonds located at positions 9 and 12 (the 9Z,12Z-geoisomer). It is also related to or classified as long-chain primary fatty alcohol  . It is also related to or classified as fatty alcohol 18:2  .
The molecule CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O is A dipeptide composed of L-isoleucine 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-isoleucine . It is also related to or classified as dipeptide  .
The molecule NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O is A dipeptide composed of L-glutamic acid and L-lysine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-glutamic acid . Its functional parent is L-lysine . It is also related to or classified as dipeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O is A tripeptide composed of L-leucine, L-asparagine and L-histidine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-histidine . Its functional parent is L-asparagine . It is also related to or classified as tripeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(O)=O is A tripeptide composed of L-leucine, L-alanine 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-alanine . It is also related to or classified as tripeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(O)=O is A dipeptide formed from L-leucine and L-serine residues. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-serine . It is also related to or classified as dipeptide  .
The molecule CC(C)=CCNc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O CC(C)=CCNc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is A nucleoside analogue in which an adenosine residue has been modified by substitution at C-2 by a mercapto (sulfanyl) group and at the 6-amino nitrogen by a Delta(2)-isopentenyl group. Its functional parent is adenosine .  It is also related to or classified as aryl thiol  . It is also related to or classified as nucleoside analogue .
The molecule N[C@@H](CONC(N)=O)C(O)=O N[C@@H](CONC(N)=O)C(O)=O is A serine derivative that is L-serine in which the hydroxyl hydrogen is replaced by a ureido group. It has the role of metabolite . Its functional parent is L-serine . It is also related to or classified as ureas , non-proteinogenic L-alpha-amino acid , L-serine derivative .
The molecule Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC[C@H]([NH3+])C([O-])=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC[C@H]([NH3+])C([O-])=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate. It is also related to or classified as amino-acid zwitterion .
The molecule Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC[C@H](N)C(O)=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC[C@H](N)C(O)=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is A ribonucleoside 5'-monophosphate that is wyosine 5'-monophosphate substituted at position 7 by a 3-amino-3-carboxypropyl group. Its functional parent is guanosine . It is also related to or classified as ribonucleoside 5'-monophosphate .
The molecule [H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C(O)=O)c3nc2c1 [H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C(O)=O)c3nc2c1 is A cysteine derivative that is the S-(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl) derivative of N-acetyl-L-cysteine. It has the role of metabolite . It is a conjugate acid of grixazone A(1-) .   It is also related to or classified as arenecarbaldehyde  . It is also related to or classified as N-acetyl-amino acid , phenoxazine , L-cysteine derivative .
The molecule CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C(O)=O)C(O)=O CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C(O)=O)C(O)=O is A cysteine derivative that is the S-(2-amino-8-carboxy-3-oxo-3H-phenoxazin-1-yl) derivative of N-acetyl-L-cysteine. It has the role of metabolite . It is a conjugate acid of grixazone B(2-) . It is also related to or classified as N-acetyl-amino acid , phenoxazine , L-cysteine derivative , cysteine derivative .
The molecule [I-].CC(C[N+](C)(C)C)SC(C)=O [I-].CC(C[N+](C)(C)C)SC(C)=O is A quaternary ammonium salt that is the monoiodide salt of acetyl-beta-methylthiocholine.   It is also related to or classified as thioester  . It is also related to or classified as quaternary ammonium salt , organic iodide salt .
The molecule CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1ccc(O)cc1 CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1ccc(O)cc1 is A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxy-3-(4-hydroxyphenyl)propionic acid. It is a conjugate acid of 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA(4-) . It is also related to or classified as 3-hydroxyacyl-CoA  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](C)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](C)C(O)=O is A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-alanine . It is also related to or classified as dipeptide  .
The molecule Cc1nc2[nH]c3n(cnc3c(=O)n2c1CC[C@H]([NH3+])C([O-])=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Cc1nc2[nH]c3n(cnc3c(=O)n2c1CC[C@H]([NH3+])C([O-])=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate. It is also related to or classified as amino-acid zwitterion .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O is A tripeptide composed of L-leucine, L-aspartic acid 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-aspartic acid . Its functional parent is L-glutamine . It is also related to or classified as tripeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O is A tripeptide composed of L-leucine, L-aspartic acid 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-aspartic acid . Its functional parent is L-serine . It is also related to or classified as tripeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O is A tripeptide composed of L-leucine, L-aspartic acid 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-aspartic acid . It is also related to or classified as tripeptide  .
The molecule Cc1nc2[nH]c3n(cnc3c(=O)n2c1CC[C@H](N)C(O)=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Cc1nc2[nH]c3n(cnc3c(=O)n2c1CC[C@H](N)C(O)=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is A ribonucleoside 5'-monophosphate having (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoic acid as the nucleobase. Its functional parent is guanosine . It is also related to or classified as ribonucleoside 5'-monophosphate .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O is A tripeptide composed of two L-leucine units joined to L-alanine by a peptide linkage. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O is A tripeptide composed of two L-leucine units 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-serine . It is also related to or classified as tripeptide  .
The molecule CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of two L-leucine units joined to L-aspartic acid by a peptide linkage. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-aspartic acid . It is also related to or classified as tripeptide  .