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] 3-hydroxy-2,2-dimethylpropanethioate

• 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,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] 3-hydroxy-2,2-dimethylpropanethioate
• 化学式: C₂₆H₄₄N₇O₁₈P₃S
• 分子量: 867.7
• InChiKey: XLWJOIZQNBTCNM-NDZSKPAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.5
• 重原子数：
  55
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  409
• 氢给体数：
  10
• 氢受体数：
  23

文献信息

• [EN] NEOPENTYL GLYCOL FERMENTATIVE PRODUCTION BY A RECOMBINANT MICROORGANISM<br/>[FR] PRODUCTION PAR FERMENTATION DE NÉOPENTYL GLYCOL PAR UN MICRO-ORGANISME RECOMBINANT
  申请人：METABOLIC EXPLORER SA

  公开号：WO2014087184A1

  公开（公告）日：2014-06-12

  The invention relates to a method for the fermentative production of neopentyl glycol comprising culturing a recombinant microorganism in an appropriate culture medium comprising a source of carbon, wherein in said microorganism, the neopentyl glycol biosynthesis pathway comprises 2-dehydropantoate as intermediate product that is converted into neopentyl glycol by two or three successive steps including a decarboxylation and an aldehyde reduction.