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

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结构编辑

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HIT ID:HIT219619076
Cas No:313261-94-8
常用名:2'-(5-Triphosphoribosyl)-3'-dephospho-CoA
常用名:2'-(5-Triphosphoribosyl)-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}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)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}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
InChI key:InChIKey=NFWZJXFBUKDGOX-HWCXJHOSSA-N

分子式:C26H46N7O26P5S
分子量:1059.61
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)OP(O)(=O)OP(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)OP(O)(=O)OP(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-Triphosphoribosyl)-3'-dephospho-CoA 是一种由 5'-磷酸腺苷转换而来的化合物，其与辅酶 A 在结构上相似，但 C-3' 位置的磷酸基团被去除，而在 C-2' 位置被 5-三磷酸-α-D-核糖基所取代。

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