[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-(2-hexadecanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic 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: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-(2-hexadecanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
• 英文别名: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hexadecanethioate
• 化学式: C₃₇H₆₆N₇O₁₇P₃S
• 分子量: 1005.9
• InChiKey: MNBKLUUYKPBKDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  65
• 可旋转键数：
  34
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• LovD MUTANTS EXHIBITING IMPROVED PROPERTIES TOWARDS SIMVASTATIN SYNTHESIS
  申请人：Tang Yi

  公开号：US20120190038A1

  公开（公告）日：2012-07-26

  The invention disclosed herein relates to methods and materials for producing simvastatin and related compounds such as huvastatin. In particular, the disclosure teaches that variants of the LovD acyltransferase polypeptide can be engineered to exhibit properties that facilitate their use in the production of simvastatin and/or huvastatin. The materials and processes disclosed herein are designed so that fermentation facilities currently producing lovastatin can be converted to producing simvastatin and related compounds with minimal modifications.
• METHODS AND MATERIALS FOR MAKING SIMVASTATIN AND RELATED COMPOUNDS
  申请人：The Regents of the University of California

  公开号：US20150203884A1

  公开（公告）日：2015-07-23

  The invention disclosed herein relates to methods and materials for producing simvastatin and related compounds such as huvastatin.
• US8981056B2
  申请人：——

  公开号：US8981056B2

  公开（公告）日：2015-03-17
• US9970037B2
  申请人：——

  公开号：US9970037B2

  公开（公告）日：2018-05-15