S-[2-[3-[[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] 2-hydroxypropanethioate

• 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-[[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] 2-hydroxypropanethioate
• 化学式: C₂₄H₄₀N₇O₁₈P₃S
• 分子量: 839.6
• InChiKey: VIWKEBOLLIEAIL-RVTPZZGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.9
• 重原子数：
  53
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  409
• 氢给体数：
  10
• 氢受体数：
  23

文献信息

• FUNCTIONALIZED CARBOXYLIC ACIDS AND ALCOHOLS BY REVERSE FATTY ACID OXIDATION
  申请人：William Marsh Rice University

  公开号：EP2753689B1

  公开（公告）日：2018-02-14
• OLIVETOLIC ACID CYCLASE VARIANTS AND METHODS FOR THEIR USE
  申请人：Genomatica, Inc.

  公开号：EP3980520A1

  公开（公告）日：2022-04-13
• PRENYLTRANSFERASE VARIANTS AND METHODS FOR PRODUCTION OF PRENYLATED AROMATIC COMPOUNDS
  申请人：Genomatica, Inc.

  公开号：EP4025705A2

  公开（公告）日：2022-07-13
• [EN] OLIVETOLIC ACID CYCLASE VARIANTS AND METHODS FOR THEIR USE<br/>[FR] VARIANTS DE CYCLASE D'ACIDE OLIVETOLIQUE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GENOMATICA INC

  公开号：WO2020247741A1

  公开（公告）日：2020-12-10

  Described herein are olivetolic acid cyclases (OAC) including non-natural variants capable of forming a 2,4-dihydroxy-6-alkylbenzoic acid from a 3,5,7-trioxoacyl-CoA or a 3,5,7-trioxocarboxylate substrate. In some examples, the non-natural OAC is capable of forming a 2,4-dihydroxy-6-alkylbenzoic acid from a 3,5,7-trioxoacyl-CoA or a 3,5,7-trioxocarboxylate substrate at a greater rate. In some examples, the non-natural OAC has a higher affinity for a 3,5,7-trioxoacyl-CoA or a 3,5,7-trioxocarboxylate substrate, as compared to the wild type OAC. The non-natural OAC can be used with olivetol synthase (OLS) to form the 2,4-dihydroxy-6-alkylbenzoic acid from malonyl-CoA and acyl-CoA through a 3,5,7-trioxoacyl-CoAintermediate. The non-natural OAC (and OLS) can be expressed in an engineered cell having a pathway to form cannabinoids, which include CBGA, its analogs and derivatives. CBGA can be used for the preparation of cannabigerol (CBG), which can be used in therapeutic compositions.
• [EN] PRENYLTRANSFERASE VARIANTS AND METHODS FOR PRODUCTION OF PRENYLATED AROMATIC COMPOUNDS<br/>[FR] VARIANTS DE PRÉNYLTRANSFÉRASE ET PROCÉDÉS DE PRODUCTION DE COMPOSÉS AROMATIQUES PRÉNYLÉS
  申请人：GENOMATICA INC

  公开号：WO2021046367A2

  公开（公告）日：2021-03-11