2-[6-Fluoro-hex-(E)-ylidene]-3-methyl-succinic acid | 207300-99-0

• 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: 2-[6-Fluoro-hex-(E)-ylidene]-3-methyl-succinic acid
• CAS: 207300-99-0
• 化学式: C₁₁H₁₇FO₄
• 分子量: 232.252
• InChiKey: WKXSIZPZRFPUGF-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.25
• 重原子数：
  16.0
• 可旋转键数：
  8.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  74.6
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 2-[6-Fluoro-hex-(E)-ylidene]-3-methyl-succinic acid 生成 2-[6-Fluoro-hex-(E)-ylidene]-3-methyl-succinic acid dimethyl ester
  参考文献：
  名称：

  Evidence for an octanoate synthase operating during the biosynthesis of piliformic acid in Poronia piliformis

  摘要：

  Sodium [1-C-13]-octanoate is incorporated intact into the C-8 unit of piliformic acid 1 in Poronia piliformis whereas sodium [3-C-13]-decanoate 2 is incorporated into this unit only after prior beta-oxidation to [1-C-13]-acetyl-CoA. Also 8-fluoraoctanaote 3 is utilised by P. piliformis as an intact unit to generate 9-fluoropiliformic acid 5 whereas 10-fluorodecanoate 4 is not. These results suggest that octanoate is biosynthesised de novo for secondary metabolism and is not assimilated from higher fatty acids by beta-oxidation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00102-6
• 作为产物：
  描述：

  methyl 8-fluorooctanoate 在 Poronia piliformis 作用下， 生成 2-[6-Fluoro-hex-(E)-ylidene]-3-methyl-succinic acid
  参考文献：
  名称：

  Evidence for an octanoate synthase operating during the biosynthesis of piliformic acid in Poronia piliformis

  摘要：

  Sodium [1-C-13]-octanoate is incorporated intact into the C-8 unit of piliformic acid 1 in Poronia piliformis whereas sodium [3-C-13]-decanoate 2 is incorporated into this unit only after prior beta-oxidation to [1-C-13]-acetyl-CoA. Also 8-fluoraoctanaote 3 is utilised by P. piliformis as an intact unit to generate 9-fluoropiliformic acid 5 whereas 10-fluorodecanoate 4 is not. These results suggest that octanoate is biosynthesised de novo for secondary metabolism and is not assimilated from higher fatty acids by beta-oxidation. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00102-6