Name: Octanoyl Coenzyme A (sodium salt)
Rating: 5 (10 reviews)

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HIT ID:HIT219649564
Cas No:
常用名:Octanoyl Coenzyme A (sodium salt)
常用名:Octanoyl Coenzyme A (sodium salt)
别名:辛酰基辅酶 A（钠盐）
IUPAC:sodium (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-(octanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl hydrogen phosphate
IUPAC:sodium (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-(octanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl hydrogen phosphate
InChI key:InChIKey=MGIZEPAIFLSYRC-QGYZRCADSA-M

分子式:C29H49N7NaO17P3S
分子量:915.71
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].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:[Na+].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

Octanoyl Coenzyme A (sodium salt)是一种Fatty acyl coenzyme A的衍生物。Octanoyl Coenzyme A (sodium salt)对柠檬酸合成酶 (citrate synthase) 和谷氨酸脱氢酶 (glutamate dehydrogenase) 具有抑制作用，IC50=0.4-1.6 mM。

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