beta-Alanyl-CoA; (Acyl-CoA); [M+H]+

• 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: beta-Alanyl-CoA; (Acyl-CoA); [M+H]+
• 英文别名: 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] 3-aminopropanethioate
• 化学式: C₂₄H₄₁N₈O₁₇P₃S
• 分子量: 838.6
• InChiKey: RUWSXZUPLIXLGD-UXYNFSPESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.9
• 重原子数：
  53
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  415
• 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
• RECOMBINANT MICROORGANISMS AND USES THEREFOR
  申请人：LanzaTech, Inc.

  公开号：US20220282289A1

  公开（公告）日：2022-09-08

  Microorganisms are genetically engineered to produce various chemicals for industrial use. The microorganisms are carboxydotrophic acetogens. The microorganisms produce acetyl-CoA using the Wood-Ljungdahl Pathway for fixing CO/CO 2 . A reverse beta-oxidation pathway cycle from a microorganism that contains such a group of enzymes is introduced. Additionally, primers and extenders, and/or genes encoding for enzymes that generate primers and extenders may also be introduced. Product synthesis can be effected by improved promoters or enzyme designs that are catalytically more efficient. Similarly, product synthesis may also be improved by deleting competing reactions.
• [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.