S-(2-fluoro-3-hydroxyoctanoyl)-CoA | 943962-24-1

• 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: S-(2-fluoro-3-hydroxyoctanoyl)-CoA
• 英文别名: 2-fluoro-3-hydroxyoctanoyl-CoA; (Acyl-CoA); [M+H]+；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] 2-fluoro-3-hydroxyoctanethioate
• CAS: 943962-24-1
• 化学式: C₂₉H₄₉FN₇O₁₈P₃S
• 分子量: 927.73
• InChiKey: JJPMVDDGQQYZAK-KTHGQURHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  59
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  409
• 氢给体数：
  10
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  S-(2-fluoro-3-hydroxyoctanoyl)-CoA 在 β-烟酰胺腺嘌呤二核苷酸 作用下， 生成
  参考文献：
  名称：

  Formation of an enolate intermediate is required for the reaction catalyzed by 3-hydroxyacyl-CoA dehydrogenase

  摘要：

  Fluorinated substrate analogs were synthesized and incubated with rat liver 3-hydroxyacyl-CoA dehydrogenase, which reveals that the formation of an enolate intermediate is required for the reaction catalyzed by the enzyme. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.023
• 作为产物：
  描述：

  methyl 2-fluoro-3-hydroxyoctanoate 在 sodium hydroxide 、 氯甲酸异丁酯 作用下， 生成 S-(2-fluoro-3-hydroxyoctanoyl)-CoA
  参考文献：
  名称：

  Formation of an enolate intermediate is required for the reaction catalyzed by 3-hydroxyacyl-CoA dehydrogenase

  摘要：

  Fluorinated substrate analogs were synthesized and incubated with rat liver 3-hydroxyacyl-CoA dehydrogenase, which reveals that the formation of an enolate intermediate is required for the reaction catalyzed by the enzyme. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.03.023

文献信息

• Formation of an enolate intermediate is required for the reaction catalyzed by 3-hydroxyacyl-CoA dehydrogenase
  作者：Xiaojun Liu、Guisheng Deng、Xiusheng Chu、Nan Li、Long Wu、Ding Li

  DOI：10.1016/j.bmcl.2007.03.023

  日期：2007.6

  Fluorinated substrate analogs were synthesized and incubated with rat liver 3-hydroxyacyl-CoA dehydrogenase, which reveals that the formation of an enolate intermediate is required for the reaction catalyzed by the enzyme. (C) 2007 Elsevier Ltd. All rights reserved.