Name: Butyryl-Coenzyme A sodium
Rating: 5 (10 reviews)

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HIT ID:HIT220921984
Cas No:125527-24-4
常用名:Butyryl-Coenzyme A sodium
别名:Butyryl CoA sodium
IUPAC:sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(butanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl hydrogen phosphate
IUPAC:sodium (2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(butanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl hydrogen phosphate
InChI key:InChIKey=XBNZETGNIJRVAR-XXXNBSBMSA-M

分子式:C25H41N7NaO17P3S
分子量:859.61
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].CCCC(=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:[Na+].CCCC(=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

Butyryl-Coenzyme A (Butyryl CoA) sodium 是 Butyric acid 的辅酶 A 衍生物，负责细菌丁酸盐生产的最终步骤。

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