Methyl oct-2-en-4-ynoate | 110879-63-5

• 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: Methyl oct-2-en-4-ynoate
• 英文别名: methyl oct-2-en-4-ynoate
• CAS: 110879-63-5
• 化学式: C₉H₁₂O₂
• 分子量: 152.193
• InChiKey: BWMLVTMAQHFSGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Methyl oct-2-en-4-ynoate 在 氢氧化钾 、 水 作用下， 以 甲醇 为溶剂， 生成 oct-2-en-4-ynoic acid
  参考文献：
  名称：

  Oct-2-en-4-ynoyl-CoA as a Specific Inhibitor of Acyl-CoA Oxidase

  摘要：

  Oct-2-en-4-ynoyl-CoA was found to be a specific inhibitor of acyl-CoA oxidase in fatty acid oxidation in peroxisomes that has no inhibitory effect on acyl-CoA dehydrogenase in mitochondria. The inhibition reaction involves a nucleophilic attack of Glu421 to the delta carbon of the inhibitor. The result indicates that acyl-CoA oxidase and acyl-CoA dehydrogenase have certain differences in active-site structure, which makes it possible to control fatty acid oxidation selectively in either mitochondria or peroxisomes with different enzyme inhibitors.

  DOI：

  10.1021/ol801571n
• 作为产物：
  描述：

  己-2-炔-1-醛 、 甲氧羰基亚甲基三苯基正膦 以 四氢呋喃 为溶剂， 生成 Methyl oct-2-en-4-ynoate
  参考文献：
  名称：

  Oct-2-en-4-ynoyl-CoA as a Specific Inhibitor of Acyl-CoA Oxidase

  摘要：

  Oct-2-en-4-ynoyl-CoA was found to be a specific inhibitor of acyl-CoA oxidase in fatty acid oxidation in peroxisomes that has no inhibitory effect on acyl-CoA dehydrogenase in mitochondria. The inhibition reaction involves a nucleophilic attack of Glu421 to the delta carbon of the inhibitor. The result indicates that acyl-CoA oxidase and acyl-CoA dehydrogenase have certain differences in active-site structure, which makes it possible to control fatty acid oxidation selectively in either mitochondria or peroxisomes with different enzyme inhibitors.

  DOI：

  10.1021/ol801571n