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] prop-2-enethioate;buta-1,3-diene

• 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] prop-2-enethioate;buta-1,3-diene
• 化学式: C28H44N7O17P3S
• 分子量: 875.7
• InChiKey: VXRNJVLFNSDESU-IEQRABFGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 重原子数：
  56
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• [EN] MODIFIED MICROORGANISMS AND METHODS OF USING SAME FOR PRODUCING BUTADIENE AND ONE OR MORE OF 1,3-BUTANEDIOL, 1,4-BUTANEDIOL, AND/OR 1,3-PROPANEDIOL<br/>[FR] MICRO-ORGANISMES MODIFIÉS ET LEURS PROCÉDÉS D'UTILISATION POUR PRODUIRE DU BUTADIÈNE ET UN OU PLUSIEURS PARMI LE 1,3-BUTANEDIOL, LE 1,4-BUTANEDIOL ET/OU LE 1,3-PROPANEDIOL
  申请人：BRASKEM S A AP 09

  公开号：WO2014063156A2

  公开（公告）日：2014-04-24

  The present disclosure generally relates to microorganisms (e.g., non-naturally occurring microorganisms) that comprise one or more polynucleotides coding for enzymes in a pathway that catalyze a conversion of a carbon source (e.g., a fermentable carbon source) to butadiene and one or more of 1,3-butanediol, 1,4- butanediol, and/or 1,3-propanediol and the use of such microorganisms for the production of butadiene and one or more of 1,3-butanediol, 1,4- butanediol, and/or 1,3-propanediol.