(2E)-2-nonenoyl-CoA

• 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: (2E)-2-nonenoyl-CoA
• 英文别名: trans-2-nonenoyl-CoA；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] (E)-non-2-enethioate
• 化学式: C₃₀H₅₀N₇O₁₇P₃S
• 分子量: 905.751
• InChiKey: HBLOTZDYPZAZLE-OWQWVSLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  58
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  S-Phenyl 2-nonenethioate 、 辅酶 A 以 四氢呋喃 、 aq. phosphate buffer 为溶剂， 以20%的产率得到(2E)-2-nonenoyl-CoA
  参考文献：
  名称：

  组合化学在抗霉素生物合成中的复用：分子多样性和实用性的扩展

  摘要：

  通过使用多重组合生物合成，完成了抗霉素样化合物库（共380个）的面向多样性的生物合成。核心策略取决于在不同生物合成阶段使用组合化学。该方法适用于聚酮化合物，非核糖体肽以及具有相似生物合成逻辑的杂种的多样化。

  DOI：

  10.1002/anie.201305569

文献信息

• Methods and Materials for Producing 7-Carbon Monomers
  申请人：INVISTA North America S.a.r.l.

  公开号：US20170218406A1

  公开（公告）日：2017-08-03

  This document describes biochemical pathways for producing pimeloyl-CoA using a polypeptide having the enzymatic activity of a hydroperoxide lyase to form non-3-enal and 9-oxononanoate from 9-hydroxyperoxyoctadec-10,12-dienoate. Non-3-enal and 9-oxononanoate can be enzymatically converted to pimeloyl-CoA or a salt thereof using one or more polypeptides having the activity of a dehydrogenase, a CoA ligase, an isomerase, a reductase, a thioesterase, a monooxygenase, a hydratase, and/or a thiolase. Pimeloyl-CoA can be enzymatically converted to pimelic acid, 7-aminoheptanoic acid, 7-hydroxyheptanoic acid, heptamethylenediamine, or 1,7-heptanediol, or corresponding salts thereof. This document also describes recombinant microorganisms producing pimeloyl-CoA, as well as pimelic acid, 7-aminoheptanoic acid, 7-hydroxyheptanoic acid, heptamethylenediamine, and 1,7-heptanediol, or corresponding salts thereof.
• METHODS AND MATERIALS FOR PRODUCING 7-CARBON MONOMERS
  申请人：INVISTA North America S.á.r.l.

  公开号：US20200277634A1

  公开（公告）日：2020-09-03

  This document describes biochemical pathways for producing pimeloyl-CoA using a polypeptide having the enzymatic activity of a hydroperoxide lyase to form non-3-enal and 9-oxononanoate from 9-hydroxyperoxyoctadec-10,12-dienoate. Non-3-enal and 9-oxononanoate can be enzymatically converted to pimeloyl-CoA or a salt thereof using one or more polypeptides having the activity of a dehydrogenase, a CoA ligase, an isomerase, a reductase, a thioesterase, a monooxygenase, a hydratase, and/or a thiolase. Pimeloyl-CoA can be enzymatically converted to pimelic acid, 7-aminoheptanoic acid, 7-hydroxyheptanoic acid, heptamethylenediamine, or 1,7-heptanediol, or corresponding salts thereof. This document also describes recombinant microorganisms producing pimeloyl-CoA, as well as pimelic acid, 7-aminoheptanoic acid, 7-hydroxyheptanoic acid, heptamethylenediamine, and 1,7-heptanediol, or corresponding salts thereof.
• [EN] PROCESS FOR PRODUCING C7 COMPOUNDS STARTING FROM 9-HYDROPEROXIDIZED LINOLEIC ACID<br/>[FR] PROCÉDÉ POUR LA PRODUCTION DE COMPOSÉ À 7 ATOMES DE CARBONE À PARTIR D'ACIDE LINOLÉIQUE 9-HYDROPEROXYDÉ
  申请人：INVISTA NORTH AMERICA S À R L

  公开号：WO2017136344A1

  公开（公告）日：2017-08-10

  This document describes biochemical pathways for producing pimeloyl-CoA using a polypeptide having the enzymatic activity of a hydroperoxide lyase to form non-3-enal and 9- oxononanoate from 9-hydroxyperoxyoctadec-10,12-dienoate. Non-3-enal and 9-oxononanoate can be enzymatically converted to pimeloyl-CoA or a salt thereof using one or more polypeptides having the activity of a dehydrogenase, a CoA ligase, an isomerase, a reductase, a thioesterase, a monooxygenase, a hydratase, and/or a thiolase. Pimeloyl-CoA can be enzymatically converted to pimelic acid, 7-aminoheptanoic acid, 7-hydroxyheptanoic acid, heptamethylenediamine, or 1,7-heptanediol, or corresponding salts thereof. This document also describes recombinant microorganisms producing pimeloyl-CoA, as well as pimelic acid, 7-aminoheptanoic acid, 7-hydroxyheptanoic acid, heptamethylenediamine, and 1,7-heptanediol, or corresponding salts thereof.