cis-3-decenoylcoenzyme A

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: cis-3-decenoylcoenzyme A
• 英文别名: (3Z)-Decenoyl-CoA(4-)；S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-dec-3-enethioate
• 化学式: C₃₁H₅₂N₇O₁₇P₃S
• 分子量: 919.778
• InChiKey: CQGVNMQHZQJNII-UUSBZYPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  59
• 可旋转键数：
  27
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  cis-3-decenoylcoenzyme A 在 乙二胺四乙酸 作用下， 以 phosphate buffer 为溶剂， 生成 (2E)-decenoyl-coenzyme A
  参考文献：
  名称：

  Inactivation of Thiolase by 2-Alkynoyl-CoA via Its Intrinsic Isomerase Activity

  摘要：

  Selective inactivation of cytosolic thiolase by 2-alkynoyi-CoA via its intrinsic isomerase activity was studied, which provides an example for rationally developing mechanism-based inhibitors based on a side activity of the enzyme, and may become a supplemental method for better treatment of cardiovascular disease and cancer.

  DOI：

  10.1021/ol0712677

文献信息

• Inactivation of Thiolase by 2-Alkynoyl-CoA via Its Intrinsic Isomerase Activity
  作者：Long Wu、Jia Zeng、Guisheng Deng、Fei Guo、Nan Li、Xiaojun Liu、Xiusheng Chu、Ding Li

  DOI：10.1021/ol0712677

  日期：2007.9.1

  Selective inactivation of cytosolic thiolase by 2-alkynoyi-CoA via its intrinsic isomerase activity was studied, which provides an example for rationally developing mechanism-based inhibitors based on a side activity of the enzyme, and may become a supplemental method for better treatment of cardiovascular disease and cancer.