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

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217700330
Cas No:102282-28-0
常用名:Butyryl-Coenzyme A trilithium
别名:Butyryl CoA trilithium
IUPAC:trilithium(1+) (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-dimethylpropyl phosphonato]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl phosphate
IUPAC:trilithium(1+) (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-dimethylpropyl phosphonato]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl phosphate
InChI key:SSSSPMGDEUHRDN-WSRMJXCZSA-K

分子式:C25H39Li3N7O17P3S
分子量:855.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Li+].[Li+].[Li+].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:[Li+].[Li+].[Li+].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

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