Name: 3-Hydroxy-5-methylhex-4-enoyl-CoA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619161
Cas No:1245945-90-7
常用名:3-Hydroxy-5-methylhex-4-enoyl-CoA
常用名:3-Hydroxy-5-methylhex-4-enoyl-CoA
别名:3-Hydroxy-5-methylhex-4-enoyl-coenzyme A
别名:3-Hydroxy-5-methylhex-4-enoyl-coenzyme A
IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-{[2-({2-[(3-hydroxy-5-methylhex-4-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]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-3-{[2-({2-[(3-hydroxy-5-methylhex-4-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
InChI key:InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-N

分子式:C28H46N7O18P3S
分子量:893.69
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
SMILES:CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

3-Hydroxy-5-methylhex-4-enoyl-CoA (3-Hydroxy-5-methylhex-4-enoyl-coenzyme A) 是辅酶 A 的一种衍生物。

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