Chondropsin A (HCID 20704455)

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基本情報

標準SMILES: COC(=O)C(C)(C)C(O)C(C)C(=O)C(C)(C)/C=C/C(=O)NC(C(O)C(C)C)C(O)C(C)/C=C(\C)C(O)C(C)CCC(O)C(C)C(=O)NC(C(C)O)C1OC(=O)C(C(O)C(=O)O)NC(=O)C=CC=CCCC=CC=CC[C@@H]2C[C@@H](C)C[C@@H](CC(O)C(C)C(O)C(C)=CC(C)C(O)C(C)=CCC(OC(=O)CC(O)C(=O)O)C1C)O2
InChIKey: XGMDDOZEJBZLGC-LYNPZQPKSA-N
分子式: C83H133N3O26
平均分子量: 1,588.9 g/mol
単同位体質量: 1,587.91773136

概要

Chondropsin A has been reported in Ircinia ramosa and Chondropsis with data available.

名称と識別子

優先名称: Chondropsin A
IUPAC: 4-[[(1S,32S,34R)-15-[carboxy(hydroxy)methyl]-24,28,30-trihydroxy-18-[2-hydroxy-1-[[(E)-3,7,11,13-tetrahydroxy-12-[[(E)-7-hydroxy-9-methoxy-4,4,6,8,8-pentamethyl-5,9-dioxonon-2-enoyl]amino]-2,6,8,10,14-pentamethylpentadec-8-enoyl]amino]propyl]-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo[30.3.1]hexatriaconta-3,5,9,11,22,26-hexaen-20-yl]oxy]-2-hydroxy-4-oxobutanoic acid

名称と別名

Chondropsin ARefChem:125782(E)-9-(((E)-15-((1-((1S,3E,5E,9E,11E,22E,26E,32S,34R)-15-(carboxy(hydroxy)methyl)-20-(3-carboxy-3-hydroxypropanoyl)oxy-24,28,30-trihydroxy-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo(30.3.1)hexatriaconta-3,5,9,11,22,26-hexaen-18-yl)-2-hydroxypropyl)amino)-3,5,9,13-tetrahydroxy-2,6,8,10,14-pentamethyl-15-oxopentadec-7-en-4-yl)amino)-3-hydroxy-2,2,4,6,6-pentamethyl-5,9-dioxonon-7-enoic acid4-(((1S,32S,34R)-15-(carboxy(hydroxy)methyl)-24,28,30-trihydroxy-18-(2-hydroxy-1-(((E)-3,7,11,13-tetrahydroxy-12-(((E)-7-hydroxy-9-methoxy-4,4,6,8,8-pentamethyl-5,9-dioxonon-2-enoyl)amino)-2,6,8,10,14-pentamethylpentadec-8-enoyl)amino)propyl)-19,23,25,27,29,34-hexamethyl-13,16-dioxo-17,36-dioxa-14-azabicyclo(30.3.1)hexatriaconta-3,5,9,11,22,26-hexaen-20-yl)oxy)-2-hydroxy-4-oxobutanoic acidXGMDDOZEJBZLGC-LYNPZQPKSA-NNSC719165NSC-719165