CHEBI:574292; (Acyl-CoA); [M+H]+

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: CHEBI:574292; (Acyl-CoA); [M+H]+
• 英文别名: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-6-[[2-[2-[[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-1,2-dihydroxy-3,3-dimethylbutylidene]amino]-1-hydroxypropylidene]amino]ethylsulfanyl]-1-hydroxyethylidene]amino]-2-[[2-[[(2S)-5-carbamimidamido-2-[[2-[[(2S)-1,3-dihydroxy-2-(1-hydroxyethylideneamino)propylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxypentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyhexylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-1,3-dihydroxybutylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]propanoic acid
• 化学式: C₁₁₁H₁₉₈N₄₅O₄₅P₃S
• 分子量: 3008.0
• InChiKey: SATALGVJXYLVMN-HJRXVMLTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -30
• 重原子数：
  205
• 可旋转键数：
  103
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  1510
• 氢给体数：
  48
• 氢受体数：
  57