Name: 9Z,12Z,15Z-Octadecatrienoyl-CoA
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772977
Cas No:13673-87-5
常用名:9Z,12Z,15Z-Octadecatrienoyl-CoA
别名:alpha-Linolenoyl-coenzyme A, alpha-Linolenoyl-CoA, 9Z,12Z,15Z-Octadecatrienoyl-coenzyme A
别名:alpha-Linolenoyl-coenzyme A, alpha-Linolenoyl-CoA, 9Z,12Z,15Z-Octadecatrienoyl-coenzyme A
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
InChI key:InChIKey=OMKFKBGZHNJNEX-PQBHNYBOSA-N

分子式:C39H64N7O17P3S
分子量:1027.95
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
SMILES:CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

9Z,12Z,15Z-Octadecatrienoyl-CoA (9Z,12Z,15Z-Octadecatrienoyl-coenzyme A) 是一种辅酶 A 的衍生物。

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