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HIT219540306
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HIT219540306
  • HIT ID:HIT219540306
  • Cas No:3546-17-6
  • 常用名:Heptadecanoyl Coenzyme A
  • 别名:十七烷基辅酶a, Heptadecanoyl-CoA, Heptadecanoyl Coenzyme A
    别名:十七烷基辅酶a, Heptadecanoyl-CoA, Heptadecanoyl Coenzyme A
  • IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-[(2-{[2-(heptadecanoylsulfanyl)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-(heptadecanoylsulfanyl)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:DRABUZIHHACUPI-DUPKZGIXSA-N
  • 分子式:C38H68N7O17P3S
  • 分子量:1019.98
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCCCCCCCCCCCCCCCC(=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:CCCCCCCCCCCCCCCCC(=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
  • Heptadecanoyl Coenzyme A (Heptadecanoyl-CoA),长链酰基辅酶 A (acyl-CoAs) (LCACoA),是一种脂类代谢中的中间体。Heptadecanoyl Coenzyme A 可用于研究糖代谢。
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