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HIT220773339
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HIT220773339
  • HIT ID:HIT220773339
  • Cas No:121935-04-4
  • 常用名:Epa-CoA
  • 别名:Coenzyme A,S-4,7,10,13,16-eicosapentaenoate,(all-E)-
    别名:Coenzyme A,S-4,7,10,13,16-eicosapentaenoate,(all-E)-
  • IUPAC:{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-3-[(2-{[2-(icosa-4,7,10,13,16-pentaenoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
    IUPAC:{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-3-[(2-{[2-(icosa-4,7,10,13,16-pentaenoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-2,2-dimethylpropoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • InChI key:InChIKey=QBCOIRBQTCIPGA-UHFFFAOYSA-N
  • 分子式:C41H64N7O17P3S
  • 分子量:1051.98
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
    SMILES:CCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
  • Epa-CoA (Coenzyme A, S-4,7,10,13,16-eicosapentaenoate, (all-E)-) 是一种辅酶 A 的衍生物。
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    TargetMolSC
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