(6S)-6-amino-7-[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]ethylsulfanyl]-2-hydroxy-7-oxoheptanoic acid

• 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: (6S)-6-amino-7-[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]ethylsulfanyl]-2-hydroxy-7-oxoheptanoic acid
• 化学式: C₂₈H₄₇N₈O₂₀P₃S
• 分子量: 940.7
• InChiKey: YTIMVRKGCXHWLD-QEBLGIFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.8
• 重原子数：
  60
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  473
• 氢给体数：
  12
• 氢受体数：
  26

文献信息

• METHODS AND MICROORGANISMS FOR THE BIOLOGICAL SYNTHESIS OF (S)-2-AMINO-6-HYDROXYPIMELATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROATE
  申请人：Bioamber Inc.

  公开号：EP2888356A1

  公开（公告）日：2015-07-01
• Methods and Microorganisms for the Biological Synthesis of (S) -2-amino-6-hydroxypimelate, Hexamethylenediamine and 6-aminocaproate
  申请人：BioAmber Inc.

  公开号：US20150203879A1

  公开（公告）日：2015-07-23

  A chemical having the formula (S) 2-amino-6-hydroxypimelate. (S)-2-amino-6-hydroxypimelate can be made using a method comprising culturing a cell comprising an exogenous nucleic acid sequence encoding an enzyme that catalyzes the substrate to product conversion of (S)-2-amino-6-oxopimelate to (S)-2-amino-6-hydroxypimelate and separating the (S)-2-amino-6-hydroxypimelate. The cell may be a recombinant microorganism for producing aminocaproic acid or hexamethylenediamine from (S)-2-amino-6-hydroxypimelate comprising at least one exogenous nucleic acid sequence that expresses at least one polypeptide with substrate preference for homolysine, and amino acid decarboxylase with substrate preference for alpha-aminopimelate.
• US9890405B2
  申请人：——

  公开号：US9890405B2

  公开（公告）日：2018-02-13
• [EN] METHODS AND MICROORGANISMS FOR THE BIOLOGICAL SYNTHESIS OF (S)-2-AMINO-6-HYDROXYPIMELATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROATE<br/>[FR] PROCÉDÉS ET MICRO-ORGANISMES PERMETTANT LA SYNTHÈSE BIOLOGIQUE DE (S)-2-AMINO-6-HYDROXYPIMÉLATE, D'HEXAMÉTHYLÈNEDIAMINE ET DE 5-AMINOCAPROATE
  申请人：BIOAMBER INC

  公开号：WO2014031724A1

  公开（公告）日：2014-02-27

  A chemical having the formula (S) 2-amino-6-hydroxypimelate. (S)-2-amino-6- hydroxypimelate can be made using a method comprising culturing a cell comprising an exogenous nucleic acid sequence encoding an enzyme that catalyzes the substrate to product conversion of (S)-2-amino-6-oxopimelate to (S)-2-amino-6-hydroxypimelate and separating the (S)-2-amino-6-hydroxypimelate. The cell may be a recombinant microorganism for producing aminocaproic acid or hexamethylenediamine from (S)-2- amino-6-hydroxypimelate comprising at least one exogenous nucleic acid sequence that expresses at least one polypeptide with substrate preference for homolysine, and amino acid decarboxylase with substrate preference for alpha-aminopimelate.