S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxyheptanethioate

• 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-[3-[[(2R)-4-[[[(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxyheptanethioate
• 化学式: C₂₈H₄₈N₇O₁₈P₃S
• 分子量: 895.7
• InChiKey: VISQBWUSDZWVMM-DVVGMXTKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  57
• 可旋转键数：
  25
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  409
• 氢给体数：
  10
• 氢受体数：
  23

文献信息

• METHODS OF PRODUCING 7-CARBON CHEMICALS VIA CoA-DEPENDENT CARBON CHAIN ELONGATION ASSOCIATED WITH CARBON STORAGE
  申请人：Invista Technologies S.A R.L.

  公开号：EP2931907A2

  公开（公告）日：2015-10-21
• METHODS, REAGENTS AND CELLS FOR BIOSYNTHESIZING COMPOUNDS
  申请人：Invista Technologies S.A R.L.

  公开号：EP3155109A1

  公开（公告）日：2017-04-19
• Methods of Producing 7-Carbon Chemicals via CoA-Dependent Carbon Chain Elongation Associated with Carbon Storage
  申请人：INVISTA North America S.á r.I.

  公开号：US20140248673A1

  公开（公告）日：2014-09-04

  This document describes biochemical pathways for producing pimelic acid, 7-hydroxyheptanoic acid, 7-aminoheptanoic acid, heptamethylenediamine or 1,7-heptanediol by forming two terminal functional groups, comprised of carboxyl, amine or hydroxyl group, in a C7 aliphatic backbone substrate. These pathways, metabolic engineering and cultivation strategies described herein rely on the CoA-dependent elongation enzymes or analog enzymes associated with the carbon storage pathways from polyhydroxyalkanoate accumulating bacteria.
• US9738914B2
  申请人：——

  公开号：US9738914B2

  公开（公告）日：2017-08-22
• US9790525B2
  申请人：——

  公开号：US9790525B2

  公开（公告）日：2017-10-17