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HIT219619364
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HIT219619364
  • HIT ID:HIT219619364
  • Cas No:26475-25-2
  • 常用名:(R)-3-Hydroxytetradecanoyl-CoA
  • 别名:(R)-3-Hydroxytetradecanoyl-coenzyme A
  • IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxytetradecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
    IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3R)-3-hydroxytetradecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • InChI key:InChIKey=OXBHKMHNDGRDCZ-FZFQHCCSSA-N
  • 分子式:C35H62N7O18P3S
  • 分子量:993.89
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCCCCCCCCCC[C@@H](O)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:CCCCCCCCCCC[C@@H](O)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
  • (R)-3-Hydroxytetradecanoyl-CoA ((R)-3-Hydroxytetradecanoyl-coenzyme A) 是一种化合物,属于3-羟基脂肪酰辅酶 A,由辅酶 A 的巯基和 (R)-3-羟基十四烷酸的羧基缩合形成。
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