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HIT220773679
 sdf 文件
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HIT220773679
  • HIT ID:HIT220773679
  • Cas No:
  • 常用名:Succinyl CoA disodium
  • 别名:Succinyl-coenzyme A disodium, S-(Hydrogen succinyl)coenzyme A disodium
    别名:Succinyl-coenzyme A disodium, S-(Hydrogen succinyl)coenzyme A disodium
  • IUPAC:disodium (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[({[(3R)-3-{[2-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-(hydrogen phosphonatooxy)oxolan-3-olate
    IUPAC:disodium (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-({[({[(3R)-3-{[2-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-(hydrogen phosphonatooxy)oxolan-3-olate
  • InChI key:InChIKey=YKBCMMXJPCONLJ-MOFQUYDDSA-M
  • 分子式:C25H38N7Na2O19P3S
  • 分子量:911.57
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na+].[Na+].CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O
    SMILES:[Na+].[Na+].CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O
  • Succinyl CoA (Succinyl-coenzyme A) disodium 是一种辅酶 A 的衍生物。
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