Name: 2'-(5''-Phosphoribosyl)-3'-dephospho-CoA
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219619145
Cas No:175093-25-1
常用名:2'-(5''-Phosphoribosyl)-3'-dephospho-CoA
常用名:2'-(5''-Phosphoribosyl)-3'-dephospho-CoA
IUPAC:{[(2R,3S,4R,5R)-5-{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
IUPAC:{[(2R,3S,4R,5R)-5-{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
InChI key:InChIKey=QPIDRKLSWXSKDV-HWCXJHOSSA-N

分子式:C26H44N7O20P3S
分子量:899.65
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
SMILES:CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS

2'-(5''-Phosphoribosyl)-3'-dephospho-CoA 是一种类似辅酶 A 的5'-磷酸腺苷衍生物，其特点是在 C-3' 位去磷酸化且在 C-2' 位被 5''-磷酸-D-核糖基取代。

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