Formyl-coenzyme A; (Acyl-CoA); [M+H]+

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: Formyl-coenzyme A; (Acyl-CoA); [M+H]+
• 英文别名: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] methanethioate
• 化学式: C₂₂H₃₆N₇O₁₇P₃S
• 分子量: 795.5
• InChiKey: SXMOKYXNAPLNCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.6
• 重原子数：
  50
• 可旋转键数：
  20
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• Methylmalonic acid compositions, biological methods for making same, and microorganisms for making same
  申请人：GeneSys Consulting, LLC

  公开号：US20160230198A1

  公开（公告）日：2016-08-11

  Microorganisms and methods are provided for biological synthesis of methylmalonic acid and derivatives thereof. Engineered microorganisms such as bacteria, yeast, and fungi are configured to produce or overproduce methylmalonic acid and/or derivatives thereof. Methods involve the use of such engineered microorganisms to produce methylmalonic acid and/or derivatives thereof from carbon sources. Methods may include production in a fermenter and optional purification of the product.
• ITERATIVE PLATFORM FOR THE SYNTHESIS OF ALPHA FUNCTIONALIZED PRODUCTS
  申请人：William Marsh Rice University

  公开号：US20180142273A1

  公开（公告）日：2018-05-24

  The use of microorganisms to make alpha-functionalized chemicals and fuels, (e.g. alpha-functionalized carboxylic acids, alcohols, hydrocarbons, amines, and their beta-, and omega-functionalized derivatives), by utilizing an iterative carbon chain elongation pathway that uses functionalized extender units. The core enzymes in the pathway include thiolase, dehydrogenase, dehydratase and reductase. Native or engineered thiolases catalyze the condensation of either unsubstituted or functionalized acyl-CoA primers with an alpha-functionalized acetyl-CoA as the extender unit to generate alpha-functionalized β-keto acyl-CoA. Dehydrogenase converts alpha-functionalized β-keto acyl-CoA to alpha-functionalized β-hydroxy acyl-CoA. Dehydratase converts alpha-functionalized β-hydroxy acyl-CoA to alpha-functionalized enoyl-CoA. Reductase converts alpha-functionalized enoyl-CoA to alpha-functionalized acyl-CoA. The platform can be operated in an iterative manner (i.e. multiple turns) by using the resulting alpha-functionalized acyl-CoA as primer and the aforementioned alpha-functionalized extender unit in subsequent turns of the cycle. Termination pathways acting on any of the four alpha-functionalized CoA thioester intermediates terminate the platform and generate various alpha-functionalized carboxylic acids, alcohols and amines with different β-reduction degree.