isovaleryl-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: isovaleryl-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-methylbutanethioate
• 化学式: C₂₆H₄₄N₇O₁₇P₃S
• 分子量: 851.7
• InChiKey: UYVZIWWBJMYRCD-TVCSPYKZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.3
• 重原子数：
  54
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• Method for the production of isoamyl alcohol
  申请人：Global Bioenergies

  公开号：US10941423B2

  公开（公告）日：2021-03-09

  Described is a method for the production isoamyl alcohol (3-methylbutan-1-ol) comprising the enzymatic conversion of 3-methylbutyryl-CoA (isovaleryl-CoA) into isoamyl alcohol comprising: (a) two enzymatic steps comprising (i) first the enzymatic conversion of 3-methylbutyryl-CoA into 3-methylbutyraldehyde (3-methylbutanal or isovaleraldehyde); and (ii) then enzymatically converting the thus obtained 3-methylbutyraldehyde into said isoamyl alcohol; or (b) a single enzymatic reaction in which 3-methylbutyryl-CoA is directly converted into isoamyl alcohol by making use of an alcohol-forming short chain acyl-CoA dehydrogenase/fatty acyl-CoA reductase or an alcohol-forming fatty acyl-CoA reductase (long-chain acyl-CoA:NADPH reductase) (EC 1.2.1.84). Further, described is the above method wherein the 3-methylbutyryl-CoA can be provided by the enzymatic conversion of 3-methylcrotonyl-CoA into said 3-methylbutyryl-CoA. It is also described that the thus obtained isoamyl alcohol can be further enzymatically converted into 3-methylbutyl acetate (isoamyl acetate) as described herein. Described are also recombinant organisms or microorganisms which are capable of performing the above enzymatic conversions. Furthermore, described are uses of enzymes and enzyme combinations which allow the above enzymatic conversions.

  所描述的是一种生产异戊醇（3-甲基丁-1-醇）的方法，包括将 3-甲基丁酰-CoA（异戊酰-CoA）酶法转化为异戊醇，该方法包括：(a) 两个酶解步骤，包括：(i) 首先将 3-甲基丁酰-CoA 酶解转化为 3-甲基丁醛（3-甲基丁醛或异戊醛）；(ii) 然后将由此获得的 3-甲基丁醛酶解转化为所述异戊醇；或 (b) 单个酶促反应，利用成醇短链酰基-CoA 脱氢酶/脂肪酰基-CoA 还原酶或成醇脂肪酰基-CoA 还原酶（长链酰基-CoA：NADPH 还原酶）（EC 1.2.1.84).此外，还描述了上述方法，其中 3-甲基丁酰基-CoA 可以通过酶法将 3-甲基巴豆酰基-CoA 转化为所述 3-甲基丁酰基-CoA。还描述了由此获得的异戊醇可进一步酶促转化为本文所述的 3-甲基丁基乙酸酯（乙酸异戊酯）。还描述了能够进行上述酶转化的重组生物或微生物。此外，还描述了可进行上述酶转化的酶和酶组合的用途。
• METHOD FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONYL-COA
  申请人：Global Bioenergies

  公开号：US20190112620A1

  公开（公告）日：2019-04-18

  Described is a method for the production of isobutene from 3-methylcrotonyl-CoA comprising the steps of: (a) enzymatically converting 3-methylcrotonyl-CoA into 3-methylbutyric acid; and (b) further enzymatically converting the thus produced 3-methylbutyric acid into isobutene. The conversion of 3-methylcrotonyl-CoA into 3-methylbutyric acid can be achieved by first enzymatically converting 3-methylcrotonyl-CoA into 3-methyl butyryl-CoA and further enzymatically converting the thus produced 3-methylbutyryl-CoA into 3-methylbutyric acid. Alternatively, the conversion of 3-methylcrotonyl-CoA into 3-methylbutyric acid can be achieved by first enzymatically converting 3-methylcrotonyl-CoA into 3-methylcrotonic acid and then further enzymatically converting the thus produced 3-methylcrotonic acid into 3-methylbutyric acid.