5-Methyl-3-oxo-4-hexenoyl-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: 5-Methyl-3-oxo-4-hexenoyl-CoA
• 英文别名: 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] 5-methyl-3-oxohex-4-enethioate
• 化学式: C₂₈H₄₄N₇O₁₈P₃S
• 分子量: 891.7
• InChiKey: ZFKZVSUJTDSJEY-SVHODSNWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.3
• 重原子数：
  57
• 可旋转键数：
  23
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  406
• 氢给体数：
  9
• 氢受体数：
  23

文献信息

• MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS
  申请人：William Marsh Rice University

  公开号：EP3430151A1

  公开（公告）日：2019-01-23
• [EN] MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS<br/>[FR] SYNTHÈSE MICROBIENNE DE PRÉCURSEURS D'ISOPRÉNOÏDES, D'ISOPRÉNOÏDES ET DE DÉRIVÉS COMPRENANT DES COMPOSÉS AROMATIQUES PRÉNYLÉS
  申请人：UNIV RICE WILLIAM M

  公开号：WO2017161041A1

  公开（公告）日：2017-09-21

  This disclosure generally relates to the use of enzyme combinations or recombinant microbes comprising same to make isoprenoid precursors, isoprenoids and derivatives thereof including prenylated aromatic compounds. Novel metabolic pathways exploiting Claisen, aldol, and acyioin condensations are used instead of the natural mevalonate (MVA) pathway or 1-deoxy-d-xylulose 5-phosphate (DXP) pathways for generating isoprenoid precursors such as isopentenyl pyrophosphate (IPP), dimethylallyl pyrophosphate (DMAPP), and geranyl pyrophosphate (GPP). These pathways have the potential for better carbon and or energy efficiency than native pathways. Both decarboxylative and non-carboxylative condensations are utilized, enabling product synthesis from a number of different starting compounds. These condensation reactions serve as a platform for the synthesis of isoprenoid precursors when utilized in combination with a variety of metabolic pathways and enzymes for carbon rearrangement and the addition/removal of functional groups. Isoprenoid alcohols are key intermediary products for the production of isoprenoid precursors in these novel synthetic metabolic pathways.