Acetyl Coenzyme A trisodium
HIT217737867
sdf文件结构编辑类似物检索
HIT ID: HIT217737867
Cas No: 102029-73-2
分子式: C23H35N7Na3O17P3S
分子量: 875.52
常用名: Acetyl Coenzyme A trisodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: trisodium (2R,3S,4R,5R)-2-[({[(3R)-3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl phosphonato}oxy)methyl]-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl phosphate
IUPAC: trisodium (2R,3S,4R,5R)-2-[({[(3R)-3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl phosphonato}oxy)methyl]-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl phosphate
SMILES: [Na+].[Na+].[Na+].CC(=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+].[Na+].[Na+].CC(=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
InChI key: CRTIJMBXIFKWCA-JHJDYNLLSA-K
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