The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-phenylalanine, L-valine, and L-tyrosine units joined in sequence by peptide linkages. Its functional parent is L-valine . Its functional parent is L-aspartic acid . Its functional parent is L-phenylalanine . Its functional parent is L-tyrosine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12</smiles> <smiles>CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12</smiles> is A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group. It has the role of beta-adrenergic antagonist .   It is also related to or classified as secondary alcohol  . It is also related to or classified as benzimidazoles , aromatic ether , secondary amino compound .


The molecule <smiles>CNc1c(C)n(C)n(-c2ccccc2)c1=O</smiles> <smiles>CNc1c(C)n(C)n(-c2ccccc2)c1=O</smiles> is A member of the class of pyrazoles that is antipyrine substituted at C-4 by a methylamino group. It is a metabolite of aminopyrine and of metamizole. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of opioid analgesic . It has the role of antipyretic . It has the role of EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor . It has the role of drug metabolite . It has the role of peripheral nervous system drug . Its functional parent is antipyrine . It is also related to or classified as pyrazoles , secondary amino compound .


The molecule <smiles>N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)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)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A ten-membered oligopeptide comprising D-arginyl, L-arginyl, L-prolyl, (4R)-4-hydroxy-L-prolyl, glycyl, L-phenylalanyl, L-seryl, D-phenylalanyl, L-phenylalanyl and L-arginine residues joined in sequence. It has the role of bradykinin receptor antagonist . Its functional parent is bradykinin . It is also related to or classified as oligopeptide  .


The molecule <smiles>N[C@@H](CC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>N[C@@H](CC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide composed of L-aspartic acid, glycine, and L-proline units joined in sequence. Its functional parent is glycine . Its functional parent is L-aspartic acid . Its functional parent is L-proline . It is also related to or classified as tripeptide  .


The molecule <smiles>Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23</smiles> <smiles>Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23</smiles> is A organic heterotricyclic compound that is 5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole substituted at position 6 by a 1-naphthylcarbonyl group. It has the role of analgesic . It has the role of neuroprotective agent . It has the role of apoptosis inhibitor . It is also related to or classified as organic heterotricyclic compound , morpholines , naphthyl ketone , synthetic cannabinoid .


The molecule <smiles>CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12</smiles> <smiles>CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12</smiles> is an indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer). It has the role of beta-adrenergic antagonist .  It is also related to or classified as secondary alcohol  . It is also related to or classified as aromatic ether , indanes , secondary amino compound .


The molecule <smiles>[H][C@]1(CC[C@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@H](C)CCCC(C)C</smiles> <smiles>[H][C@]1(CC[C@]2(C)[C@]3([H])CC[C@@]4([H])C(C)(C)CCC[C@]4(C)[C@@]3([H])CC[C@@]12C)[C@@H](C)CCCC(C)C</smiles> is A triterpene that is (13alpha,14beta,17alpha,20S)-lanostane. It is also related to or classified as triterpene  .


The molecule <smiles>CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=Cc8c(CCC([O-])=O)c(CC([O-])=O)c1n8[Co--]357)C(CCC([O-])=O)=C6CC([O-])=O)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O</smiles> <smiles>CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=Cc8c(CCC([O-])=O)c(CC([O-])=O)c1n8[Co--]357)C(CCC([O-])=O)=C6CC([O-])=O)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O</smiles> is A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt(II)-factor III; major species at pH 7.3. It is also related to or classified as precorrin carboxylic acid anion .


The molecule <smiles>CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl</smiles> <smiles>CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl</smiles> is A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine. It has the role of antineoplastic agent .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as isoquinolines , aromatic amide , monochlorobenzenes .


The molecule <smiles>O=NN1CCSC1</smiles> <smiles>O=NN1CCSC1</smiles> is N-nitroso-1,3-thiazolidine.  It is also related to or classified as nitrosamine  . It is also related to or classified as thiazolidines .


The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprising five deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide  .


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


The molecule <smiles>COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12</smiles> <smiles>COc1c(C)c(C(=O)c2ccc(N)c(c2)C([O-])=O)n2ccccc12</smiles> is an aminobenzoate that is the conjugate base of 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as aminobenzoate .


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


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


The molecule <smiles>CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1</smiles> <smiles>CN1CCc2cc(Cl)c(O)cc2C(C1)c1ccccc1</smiles> is A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8. It has the role of dopaminergic antagonist . It is also related to or classified as benzazepine  . It is also related to or classified as organochlorine compound  . It is also related to or classified as tertiary amino compound .


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


The molecule <smiles>COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12</smiles> <smiles>COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12</smiles> is an aminobenzoic acid that is anthranilic acid substituted at position 5 by a (1-methoxy-2-methylindolizin-3-yl)carbonyl group. It has the role of antineoplastic agent . It has the role of fibroblast growth factor receptor antagonist . Its functional parent is anthranilic acid . It is a conjugate acid of 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoate . It is also related to or classified as aminobenzoic acid , aromatic ether , indolizines , aromatic ketone .


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


The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(O)=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprising ten deoxythymidylic acid residues linked 5'->3'. It is also related to or classified as oligonucleotide  .


The molecule <smiles>Nc1ccc(cc1)C(=O)NCCN\C(NCCCOc1cccc(CN2CCCCC2)c1)=N\C#N</smiles> <smiles>Nc1ccc(cc1)C(=O)NCCN\C(NCCCOc1cccc(CN2CCCCC2)c1)=N\C#N</smiles> is A benzamide obtained by formal condensation of the carboxy group of 4-aminobenzoic acid with the primary amino group of 1-(2-aminoethyl)-2-cyano-3-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}guanidine. It has the role of H2-receptor antagonist . It is also related to or classified as nitrile  . It is also related to or classified as benzamides , guanidines , piperidines , aromatic ether , substituted aniline .


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


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


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-alanyl, L-asparagyl, L-aspartyl, and L-proline residues joined in sequence. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . Its functional parent is L-asparagine . Its functional parent is L-proline . It is also related to or classified as tetrapeptide  .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-alanyl, L-asparagyl, L-glutamyl, and L-serine residues joined in sequence. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-serine . Its functional parent is L-asparagine . Its functional parent is L-glutamine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> is A tripeptide composed of L-alanine, L-aspartic acid, and glycine units joined in sequence 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-aspartic acid . It is also related to or classified as tripeptide  .


The molecule <smiles>[I-].C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1</smiles> <smiles>[I-].C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1</smiles> is A quaternary ammonium salt obtained by combining equimolar amounts of 4-diphenylacetoxy-N-methylpiperidine and iodomethane. It has the role of cholinergic antagonist . It has the role of muscarinic antagonist . It is also related to or classified as iodide salt , quaternary ammonium salt .


The molecule <smiles>CCCN(CCC)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12</smiles> <smiles>CCCN(CCC)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12</smiles> is A pyridobenzodiazepine that acts as a selective antagonist of the muscarinic acetylcholine receptors. It has the role of muscarinic antagonist . It is also related to or classified as piperidines , ureas , tertiary amino compound , pyridobenzodiazepine .


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


The molecule <smiles>CC(=O)OC\C=C\c1ccc(O)cc1</smiles> <smiles>CC(=O)OC\C=C\c1ccc(O)cc1</smiles> is A phenylpropanoid that is trans-p-coumaryl alcohol in which the hydrogen from the allylic hydroxy group is replaced by an acetyl group. Its functional parent is trans-p-coumaryl alcohol .  It is also related to or classified as phenols  . It is also related to or classified as acetate ester  . It is also related to or classified as phenylpropanoid .


The molecule <smiles>C\C=C\c1ccc(O)cc1</smiles> <smiles>C\C=C\c1ccc(O)cc1</smiles> is A phenylpropanoid that is phenol substituted at position 4 by a prop-1-enyl group (the trans-isomer). Its functional parent is phenol .  It is also related to or classified as phenols  . It is also related to or classified as phenylpropanoid .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide composed of L-alanine, L-glutamine, 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-glutamine . It is also related to or classified as tripeptide  .


The molecule <smiles>[H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C</smiles> <smiles>[H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C</smiles> is an organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups. It has the role of dopaminergic antagonist .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as amino alcohol , organic heteropentacyclic compound , tertiary amino compound .


The molecule <smiles>COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC</smiles> <smiles>COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC</smiles> is A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents. It has the role of muscarinic antagonist . It is also related to or classified as aromatic ether , tetramine .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-alanine, L-aspartic acid, and L-serine joined in sequence 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-serine . It is also related to or classified as tripeptide  .


The molecule <smiles>C[C@@H](N)Cc1c[nH]cn1</smiles> <smiles>C[C@@H](N)Cc1c[nH]cn1</smiles> is an aralkylamino compound that is histamine bearing a methyl substituent at the alpha-position (the R-enantiomer). It has the role of H3-receptor agonist . It is also related to or classified as imidazoles , aralkylamino compound .


The molecule <smiles>C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tripeptide composed of L-alanine, glycine, and L-histidine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-histidine . Its functional parent is L-alanine . It is also related to or classified as tripeptide  .


The molecule <smiles>C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tripeptide composed of L-alanine, glycine, and L-tyrosine joined in sequence 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-tyrosine . It is also related to or classified as tripeptide  .


The molecule <smiles>C[C@H](N)C(=O)NCC(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)NCC(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-alanine, glycine, L-serine joined in sequence 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-serine . It is also related to or classified as tripeptide  .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CS)C(=O)NCC(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CS)C(=O)NCC(O)=O</smiles> is A tripeptide composed of L-alanine, L-cysteine, and glycine joined in sequence 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-cysteine . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, L-leucine, and two L-aspartic acid units 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 tetrapeptide  .


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


The molecule <smiles>C[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>C[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide composed of L-alanine, glycine, and L-proline joined in sequence 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-proline . It is also related to or classified as tripeptide  .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tripeptide composed of L-alanine, L-aspartic acid, and L-proline units joined in sequernce 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-proline . It is also related to or classified as tripeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, two L-leucine units, and an L-histidine joined in sequence. It has the role of metabolite . Its functional parent is L-leucine . Its functional parent is L-histidine . Its functional parent is L-alanine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1</smiles> <smiles>CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1</smiles> is A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine. It has the role of analgesic . It has the role of diuretic . It has the role of calcium channel blocker . It has the role of antitussive . It has the role of kappa-opioid receptor agonist . It is also related to or classified as dichlorobenzene  . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as N-alkylpyrrolidine .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> is A tetrapeptide composed of L-alanine, 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-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1</smiles> <smiles>CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1</smiles> is A monocarboxylic acid amide obtained by formal condensation between the carboxy group of phenylacetic acid and the secodary amino group of (5R,7S,8S)-N-methyl-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-amine. It has the role of diuretic . It has the role of kappa-opioid receptor agonist . It has the role of anti-inflammatory agent .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as organic heterobicyclic compound , oxaspiro compound , N-alkylpyrrolidine .


The molecule <smiles>CCCN(CCC)C1CCc2cccc(O)c2C1</smiles> <smiles>CCCN(CCC)C1CCc2cccc(O)c2C1</smiles> is A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively. It has the role of serotonergic antagonist . It is also related to or classified as phenols  . It is also related to or classified as tetralins , tertiary amino compound .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, two L-leucine units, and L-threonine 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-alanine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O</smiles> <smiles>CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O</smiles> is A heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond. It has the role of delta-opioid receptor agonist . It is also related to or classified as heterodetic cyclic peptide .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, 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-alanine . Its functional parent is L-serine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=Cc8c(CCC(O)=O)c(CC(O)=O)c1n8[Co--]357)C(CCC(O)=O)=C6CC(O)=O)[C@@H](CCC(O)=O)[C@]4(C)CC(O)=O)[C@@H](CCC(O)=O)[C@]2(C)CC(O)=O</smiles> <smiles>CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(=Cc8c(CCC(O)=O)c(CC(O)=O)c1n8[Co--]357)C(CCC(O)=O)=C6CC(O)=O)[C@@H](CCC(O)=O)[C@]4(C)CC(O)=O)[C@@H](CCC(O)=O)[C@]2(C)CC(O)=O</smiles> is A metalloporphyrin obtained by formal dehydrogenation across positions 7 and 8 of cobalt-precorrin-3. It is a conjugate acid of cobalt(II)-factor III(8-) . It is also related to or classified as metalloporphyrin , cobalt corrinoid .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, two L-leucine units, 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 tetrapeptide  .


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


The molecule <smiles>CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12</smiles> <smiles>CC(C)(C)NCC(O)COc1cccc2[nH]c(C#N)c(I)c12</smiles> is an indole that is 1H-indole substituted at positions 2, 3 and 7 by cyano, iodo and 3-(tert-butylamino)-2-hydroxypropoxy groups respectively. It has the role of beta-adrenergic antagonist . It has the role of serotonergic antagonist . It is also related to or classified as nitrile  .   It is also related to or classified as secondary alcohol  . It is also related to or classified as organoiodine compound  . It is also related to or classified as indoles , aromatic ether , secondary amino compound .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, L-tryptophan, L-asparagine, and L-aspartic acid joined in sequence 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-aspartic acid . Its functional parent is L-asparagine . It is also related to or classified as tetrapeptide  .


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


The molecule <smiles>C1=C2C3=C(C=CC=C3[C@@]4([C@@](C2)(N(C[C@H](C4)NS(N(C)C)(=O)=O)C)[H])[H])N1C</smiles> <smiles>C1=C2C3=C(C=CC=C3[C@@]4([C@@](C2)(N(C[C@H](C4)NS(N(C)C)(=O)=O)C)[H])[H])N1C</smiles> is A member of the class of ergot alkaloids that is known to act on serotonin and dopamine receptors. It has the role of serotonergic antagonist . It has the role of antiparkinson drug . It has the role of dopamine agonist . It is also related to or classified as ergot alkaloid , sulfamides .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, L-phenylalanine, L-threonine, and L-serine joined in sequence 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 . Its functional parent is L-phenylalanine . It is also related to or classified as tetrapeptide  .


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


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)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](NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, 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-alanine . Its functional parent is L-glutamine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12</smiles> <smiles>Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12</smiles> is an indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide. It has the role of serotonergic antagonist .  It is also related to or classified as sulfonamide  . It is also related to or classified as piperidines , indolyl carboxylate ester .


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


The molecule <smiles>NC(=O)NOC[C@H]([NH3+])C([O-])=O</smiles> <smiles>NC(=O)NOC[C@H]([NH3+])C([O-])=O</smiles> is an  L-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of O-ureido-L-serine. It is also related to or classified as L-alpha-amino acid zwitterion  .


The molecule <smiles>CSC1=C(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2sccc2C1=O</smiles> <smiles>CSC1=C(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2sccc2C1=O</smiles> is A 1-benzothiophene that is 1-benzothiophene-4,7-dione bearing additional methylthio and 3,7,11,15,19,23-hexamethyltetracosyl substituents at positions 5 and 6 respectively. Isolated from Caldariella acidophila. It has the role of metabolite . It is also related to or classified as organic sulfide  . It is also related to or classified as p-quinones , 1-benzothiophenes .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)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](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, 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-alanine . Its functional parent is L-serine . It is also related to or classified as tetrapeptide  .


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


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, L-phenylalanine, L-tryptophan, and L-asparagine joined in sequence 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-asparagine . Its functional parent is L-phenylalanine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CSc1c(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c(O)c2sccc2c1O</smiles> <smiles>CSc1c(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)c(O)c2sccc2c1O</smiles> is A 1-benzothiophene that is 1-benzothiophene-4,7-diol bearing additional methylthio and 3,7,11,15,19,23-hexamethyltetracosyl substituents at positions 5 and 6 respectively. It has the role of metabolite . It is also related to or classified as organic sulfide  . It is also related to or classified as hydroquinones  . It is also related to or classified as 1-benzothiophenes .


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


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


The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(O)=O</smiles> is A tetrapeptide composed of L-arginine, L-threonine and two L-cysteine units joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-arginine . Its functional parent is L-threonine . Its functional parent is L-cysteine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-alanine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .


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


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


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


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


The molecule <smiles>N[C@@H](CC(N)=O)C(=O)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](CC(N)=O)C(=O)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 tetrapeptide composed of L-asparagine, L-tryptophan, L-aspartic acid and L-serine joined in sequence 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 . Its functional parent is L-asparagine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)NCC(O)=O</smiles> <smiles>NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)NCC(O)=O</smiles> is A tetrapeptide composed of L-arginine, L-lysine, L-cysteine, and glycine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is glycine . Its functional parent is L-arginine . Its functional parent is L-cysteine . Its functional parent is L-lysine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, L-leucine and two L-aspartic acid units 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-asparagine . It is also related to or classified as tetrapeptide  .


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


The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, L-tryptophan, L-cysteine and L-histidine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-histidine . Its functional parent is L-tryptophan . Its functional parent is L-asparagine . Its functional parent is L-cysteine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, L-methionine, L-tryptophan and L-asparagine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-tryptophan . Its functional parent is L-asparagine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1</smiles> <smiles>CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1</smiles> is A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted into its dihydrogen phosphate derivative. It is the active metabolite of fingolimod. It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of sphingosine-1-phosphate receptor agonist . Its functional parent is fingolimod . It is also related to or classified as primary alcohol  . It is also related to or classified as monoalkyl phosphate , primary amino compound .


The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A dipeptide composed of L-asparagine 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-asparagine . It is also related to or classified as dipeptide  .


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


The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, L-valine, L-aspartic acid, and L-histidine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-histidine . Its functional parent is L-valine . Its functional parent is L-alanine . Its functional parent is L-aspartic acid . It is also related to or classified as tetrapeptide  .


The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide composed of L-asparagine and L-tyrosine joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-asparagine . Its functional parent is L-tyrosine . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, 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 . Its functional parent is L-asparagine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, 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-asparagine . Its functional parent is L-phenylalanine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-arginine, L-tryptophan, L-serine, and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-arginine . Its functional parent is L-tryptophan . Its functional parent is L-serine . Its functional parent is L-tyrosine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC</smiles> is A D-galactosyl-N-acylsphingosine in which the ceramide N-acyl group is dodecanoyl. It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, 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-aspartic acid . Its functional parent is L-serine . It is also related to or classified as tetrapeptide  .


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


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-leucine, L-valine and L-serine units joined in sequence. It has the role of metabolite . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-leucine, L-phenylalanine and L-valine 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 . Its functional parent is L-phenylalanine . It is also related to or classified as tetrapeptide  .


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


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)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](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, 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-aspartic acid . Its functional parent is L-serine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, 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 tetrapeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is Asp-Leu-Leu-Gln. 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 tetrapeptide  .


The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)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](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-phenylalanine, L-aspartic acid and L-glutamine joined in sequence 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-glutamine . It is also related to or classified as tetrapeptide  .


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


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


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


The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-phenylalanine and two L-valine units joined in sequence 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 tetrapeptide  .


The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide composed of L-asparagine and L-proline joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-asparagine . Its functional parent is L-proline . 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)N[C@@H](CO)C(O)=O</smiles> <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-aspartic acid, L-glutamine and L-serine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-aspartic acid . Its functional parent is L-serine . Its functional parent is L-glutamine . It is also related to or classified as tripeptide  .


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


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


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


The molecule <smiles>Cl.Cl.Cl.Cl.COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC</smiles> <smiles>Cl.Cl.Cl.Cl.COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC</smiles> is A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid. It has the role of muscarinic antagonist . It is also related to or classified as hydrochloride .


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


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


The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A dipeptide composed of L-aspartic acid 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-aspartic acid . It is also related to or classified as dipeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)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](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, 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 tetrapeptide  .


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


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


The molecule <smiles>N[C@@H](CS)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>N[C@@H](CS)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide composed of L-cysteine and L-proline joined by a peptide linkage. It has the role of metabolite . Its functional parent is L-proline . 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](N)CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-cysteine, L-methionine, L-threonine and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite . Its functional parent is L-methionine . Its functional parent is L-threonine . Its functional parent is L-cysteine . Its functional parent is L-tyrosine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-glutamine, two L-leucine units and L-proline 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-glutamine . It is also related to or classified as tetrapeptide  .


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


The molecule <smiles>N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tetrapeptide composed of two L-cysteine units joined to two  L-histidine units by a peptide linkage. It has the role of metabolite . Its functional parent is L-histidine . Its functional parent is L-cysteine . It is also related to or classified as tetrapeptide  .


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


The molecule <smiles>N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O</smiles> <smiles>N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O</smiles> is A tetrapeptide composed of L-cysteine, two L-phenylalanine 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-phenylalanine . Its functional parent is L-cysteine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>COc1ccccc1C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc1ccccc1OC</smiles> <smiles>COc1ccccc1C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc1ccccc1OC</smiles> is an organic cation obtained by protonation of the four amino groups of methoctramine. It is a conjugate acid of methoctramine . It is also related to or classified as organic cation , ammonium ion derivative .


The molecule <smiles>C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1</smiles> <smiles>C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1</smiles> is the meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. It has the role of metabolite . It has the role of hypoglycemic agent . It has the role of antineoplastic agent . It has the role of lipoxygenase inhibitor . It is also related to or classified as nordihydroguaiaretic acid  .


The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-glutamic acid, L-aspartic acid and two L-glutamine 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-aspartic acid . Its functional parent is L-glutamine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1</smiles> <smiles>C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1</smiles> is A quaternary ammonium salt obtained by formal methylation of the tertiary amino function of 4-diphenylacetoxy-N-methylpiperidine. It has the role of cholinergic antagonist . It has the role of muscarinic antagonist . It is also related to or classified as quaternary ammonium ion  .


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


The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)CCCCCCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)CCCCCCCCCCCCCCC</smiles> is an alpha-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are stearoyl (octadecanoyl) and palmitoyl (hexadecanoyl) respectively. It has the role of antigen . It is also related to or classified as alpha-D-glucuronosyl diglyceride .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)CCCCCCCC[C@H](C)CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)CCCCCCCC[C@H](C)CCCCCCCC</smiles> is an alpha-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are palmitoyl (hexadecanoyl) and (10R)-10-methyloctadecanoyl respectively. It has the role of antigen . It is also related to or classified as alpha-D-glucuronosyl diglyceride .


The molecule <smiles>N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)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-glutamine, L-phenylalanine, 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-phenylalanine . Its functional parent is L-tyrosine . Its functional parent is L-glutamine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O</smiles> <smiles>CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O</smiles> is A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2. It has the role of antineoplastic agent . It has the role of cyclooxygenase 2 inhibitor . Its functional parent is 4-nitroaniline . It is also related to or classified as sulfonamide  . It is also related to or classified as aromatic ether , C-nitro compound .


The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)COC(=O)CCCCCCCC[C@H](C)CCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)COC(=O)CCCCCCCC[C@H](C)CCCCCCCC</smiles> is an alpha-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are (10R)-10-methyloctadecanoyl and palmitoyl (hexadecanoyl) respectively. It has the role of antigen . It is also related to or classified as alpha-D-glucuronosyl diglyceride .


The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCC</smiles> <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCC</smiles> is A glycodihydroceramide having an alpha-D-glucuronosyl group at the 1-position of the sphinganine skeleton and a (2R)-2-hydroxytridecanoyl group attached to the nitrogen. It is also related to or classified as glycodihydroceramide  .


The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@@H](N)CO</smiles> <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@@H](N)CO</smiles> is A sphingoid having the structure of phytosphingosine but with R-configuration at C-3.   It is also related to or classified as sphingoid  . It is also related to or classified as amino alcohol , triol .


The molecule <smiles>CN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1</smiles> <smiles>CN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1</smiles> is A carboxylic ester obtained by formal condensation of the carboxy group of diphenylacetic acid and the hydroxy group of 4-hydroxy-N-methylpiperidine. It has the role of muscarinic antagonist .  It is also related to or classified as carboxylic ester  . It is also related to or classified as piperidines , tertiary amino compound .


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


The molecule <smiles>C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-glutamic acid, L-lysine, L-tryptophan and L-alanine 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 . Its functional parent is L-lysine . It is also related to or classified as tetrapeptide  .


The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[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](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A sphingolipid in which D-xylo-phytosphingosine is substituted on O-1 by an alpha-D-galactosyl group and on nitrogen by a hexacosanoyl group. Its functional parent is D-xylo-phytosphingosine . It is also related to or classified as sphingolipid .


The molecule <smiles>CC(C[N+](C)(C)C)SC(C)=O</smiles> <smiles>CC(C[N+](C)(C)C)SC(C)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> 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 <smiles>C[N+](C)(C)CCP(O)(O)=O</smiles> <smiles>C[N+](C)(C)CCP(O)(O)=O</smiles> 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 <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(O)=O</smiles> 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 <smiles>[H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C([O-])=O)c3nc2c1</smiles> <smiles>[H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C([O-])=O)c3nc2c1</smiles> 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 <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> 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 <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> 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 <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> 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 <smiles>CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)NCC(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)NCC(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> 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 <smiles>OC(=O)CCCC#C</smiles> <smiles>OC(=O)CCCC#C</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> 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 <smiles>CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(O)=O</smiles> <smiles>CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(O)=O</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> 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 <smiles>NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> 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 <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O</smiles> 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 <smiles>CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C([O-])=O)C([O-])=O</smiles> <smiles>CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C([O-])=O)C([O-])=O</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](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(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> 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 <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CC(C)C[C@H](N)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(N)=O)C(O)=O</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](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(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>CCCCC\C=C/C\C=C/CCCCCCCCO</smiles> <smiles>CCCCC\C=C/C\C=C/CCCCCCCCO</smiles> 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 <smiles>CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> <smiles>CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> 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 <smiles>NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> <smiles>NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(O)=O</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>CC(C)=CCNc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> <smiles>CC(C)=CCNc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> 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 <smiles>N[C@@H](CONC(N)=O)C(O)=O</smiles> <smiles>N[C@@H](CONC(N)=O)C(O)=O</smiles> 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 <smiles>Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC[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[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-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate. It is also related to or classified as amino-acid zwitterion .


The molecule <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>[H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C(O)=O)c3nc2c1</smiles> <smiles>[H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C(O)=O)c3nc2c1</smiles> 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 <smiles>CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C(O)=O)C(O)=O</smiles> <smiles>CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C(O)=O)C(O)=O</smiles> 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 <smiles>[I-].CC(C[N+](C)(C)C)SC(C)=O</smiles> <smiles>[I-].CC(C[N+](C)(C)C)SC(C)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O</smiles> 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 <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> 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 <smiles>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</smiles> <smiles>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</smiles> 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  .


The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)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](C)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-threonine and L-alanine 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-alanine . It is also related to or classified as tripeptide  .