3-(5-hydroxy-7a-methyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl)propanoic 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: 3-(5-hydroxy-7a-methyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl)propanoic acid
• 化学式: C₁₃H₂₀O₄
• 分子量: 240.29
• InChiKey: PTOAZNZPJAHUEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• MYCOBACTERIUM GENETICALLY-ENGINEERED BACTERIA AND APPLICATIONS THEREOF IN PREPARATION OF STEROIDAL COMPOUND
  申请人：East China University Of Science And Technology

  公开号：EP3473704A1

  公开（公告）日：2019-04-24

  The present invention relates to a genetically-engineered Mycobacterium strain and a use thereof in the preparation of steroidal compounds. The genetically-engineered Mycobacterium strain is a Mycobacteria which lacks of acyl-CoA dehydrogenase genes fadE31, fadE32 and fadE33, wherein acyl-CoA dehydrogenase genes fadE31, fadE32 and fadE33 respectively encode proteins as follows: having amino acid sequences according to SEQ ID NOs 4, 6 and 8; derived by substituting, deleting or inserting one or more amino acids in the amino acid sequence defined by preceding protein and having the same function as that of the preceding protein. The present invention constructs a genetically-engineered Mycobacterium strain and applies it in preparing steroidal compounds, thereby enriching the types of valuable intermediates, improving the production efficiency and product quality of steroid drugs, reducing energy consumption in the steroid drugs production, simplifying production steps, and reducing production costs.

  本发明涉及一种基因工程分枝杆菌菌株及其在制备甾体化合物中的用途。基因工程分枝杆菌菌株是缺乏酰基-CoA 脱氢酶基因 fadE31、fadE32 和 fadE33 的分枝杆菌，其中酰基-CoA 脱氢酶基因 fadE31、fadE32 和 fadE33 分别编码如下蛋白质：具有与 SEQ ID NOs 4、6 和 8 一致的氨基酸序列；通过在前述蛋白质定义的氨基酸序列中替换、删除或插入一个或多个氨基酸而衍生，并具有与前述蛋白质相同的功能。本发明构建了一种基因工程分枝杆菌菌株，并将其应用于制备甾体化合物，从而丰富了有价中间体的种类，提高了甾体药物的生产效率和产品质量，降低了甾体药物生产的能耗，简化了生产步骤，降低了生产成本。