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HIT219618792
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HIT219618792
  • HIT ID:HIT219618792
  • Cas No:56898-43-2
  • 常用名:(Methylenecyclopropyl)acetyl-CoA
    常用名:(Methylenecyclopropyl)acetyl-CoA
  • 别名:S-(2-Methylenecyclopropyl)acetyl-CoA
  • IUPAC:{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-{[2-(2-methylidenecyclopropyl)acetyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]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-2,2-dimethyl-3-({2-[(2-{[2-(2-methylidenecyclopropyl)acetyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • InChI key:InChIKey=LRZLYYOBCYKACZ-SNIDVWGTSA-N
  • 分子式:C27H42N7O17P3S
  • 分子量:861.65
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES: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)CC1CC1=C
    SMILES: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)CC1CC1=C
  • (Methylenecyclopropyl)acetyl-CoA (S-(2-Methylenecyclopropyl)acetyl-CoA) 是辅酶A的一个衍生物。
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