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HIT220773629
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HIT220773629
  • HIT ID:HIT220773629
  • Cas No:71974-85-1
  • 常用名:N6-[N-(6-Aminohexyl)carbamoylmethyl]-CoA
    常用名:N6-[N-(6-Aminohexyl)carbamoylmethyl]-CoA
  • 别名:N6-[N-(6-Aminohexyl)carbamoylmethyl]-coenzyme A
    别名:N6-[N-(6-Aminohexyl)carbamoylmethyl]-coenzyme A
  • IUPAC:({5-[6-({[(6-aminohexyl)carbamoyl]methyl}amino)-9H-purin-9-yl]-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl}oxy)phosphonic acid
    IUPAC:({5-[6-({[(6-aminohexyl)carbamoyl]methyl}amino)-9H-purin-9-yl]-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl}oxy)phosphonic acid
  • InChI key:InChIKey=PTXIBVQMIJSEJB-UHFFFAOYSA-N
  • 分子式:C29H52N9O17P3S
  • 分子量:923.76
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(NCC(=O)NCCCCCCN)ncnc12)C(O)C(=O)NCCC(=O)NCCS
    SMILES:CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(NCC(=O)NCCCCCCN)ncnc12)C(O)C(=O)NCCC(=O)NCCS
  • N6-[N-(6-Aminohexyl)carbamoylmethyl]-CoA (N6-[N-(6-Aminohexyl)carbamoylmethyl]-coenzyme A) 是 CoA 的一种衍生物。
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    TargetMolSC
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