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  3. HIT220773863
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HIT220773863
 sdf 文件
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HIT220773863
  • HIT ID:HIT220773863
  • Cas No:
  • 常用名:4,8-Dimethylnonanoyl-CoA
  • 别名:Dimethylnonanoyl-coenzyme A, Dimethylnonanoyl-CoA, 4,8-Dimethylnonanoyl-Coenzyme A
    别名:Dimethylnonanoyl-coenzyme A, Dimethylnonanoyl-CoA, 4,8-Dimethylnonanoyl-Coenzyme A
  • IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(4,8-dimethylnonanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
    IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(4,8-dimethylnonanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
  • InChI key:InChIKey=YGNKJFPEXQCWDB-ANHZDMDASA-N
  • 分子式:C32H56N7O17P3S
  • 分子量:935.81
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)CCCC(C)CCC(=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:CC(C)CCCC(C)CCC(=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
  • 4,8-Dimethylnonanoyl-CoA (4,8-Dimethylnonanoyl-Coenzyme A) 是 Coenzyme A 的一种衍生物。
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  • 供应商
    TargetMolSC
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    1

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