3-Methyl-vinylacetyl-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: 3-Methyl-vinylacetyl-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-methylbut-3-enethioate
• 化学式: C₂₆H₄₂N₇O₁₇P₃S
• 分子量: 849.6
• InChiKey: JBMJJWIKMZYESJ-TVCSPYKZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.2
• 重原子数：
  54
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

文献信息

• Methods for producing isobutene from 3-methylcrotonic acid
  申请人：Global Bioenergies

  公开号：US11124806B2

  公开（公告）日：2021-09-21

  Described are methods for the production of isobutene comprising the enzymatic conversion of 3-methylcrotonic acid into isobutene wherein said 3-methylcrotonic acid is obtained by the enzymatic conversion of 3-methylcrotonyl-CoA into 3-methylcrotonic acid or wherein said 3-methylcrotonic acid is obtained by the enzymatic conversion of 3-hydroxyisovalerate (HIV) into 3-methylcrotonic acid. It is described that the enzymatic conversion of 3-methylcrotonic acid into isobutene can, e.g., be achieved by making use of a 3-methylcrotonic acid decarboxylase, preferably an FMN-dependent decarboxylase associated with an FMN prenyl transferase, an aconitate decarboxylase (EC 4.1.1.6), a methylcrotonyl-CoA carboxylase (EC 6.4.1.4), or a geranoyl-CoA carboxylase (EC 6.4.1.5).

  所述异丁烯的生产方法包括酶法将 3-甲基巴豆酸转化为异丁烯，其中所述 3-甲基巴豆酸是通过酶法将 3-甲基巴豆酰-CoA 转化为 3-甲基巴豆酸得到的，或者所述 3-甲基巴豆酸是通过酶法将 3-羟基异戊酸（HIV）转化为 3-甲基巴豆酸得到的。据介绍，将 3-甲基巴豆酸酶法转化为异丁烯的过程可通过以下方式实现，例如3-甲基巴豆酸脱羧酶，最好是与 FMN 前酰基转移酶相关的 FMN 依赖性脱羧酶、丙酮酸脱羧酶（EC 4.1.1.6）、甲基巴豆酰-CoA 羧化酶（EC 6.4.1.4）或香叶酰-CoA 羧化酶（EC 6.4.1.5）。
• METHODS FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONIC ACID
  申请人：Global Bioenergies

  公开号：US20180371503A1

  公开（公告）日：2018-12-27

  Described are methods for the production of isobutene comprising the enzymatic conversion of 3-methylcrotonic acid into isobutene wherein said 3-methylcrotonic acid is obtained by the enzymatic conversion of 3-methylcrotonyl-CoA into 3-methylcrotonic acid or wherein said 3-methylcrotonic acid is obtained by the enzymatic conversion of 3-hydroxyisovalerate (HIV) into 3-methylcrotonic acid. It is described that the enzymatic conversion of 3-methylcrotonic acid into isobutene can, e.g., be achieved by making use of a 3-methylcrotonic acid decarboxylase, preferably an FMN-dependent decarboxylase associated with an FMN prenyl transferase, an aconitate decarboxylase (EC 4.1.1.6), a methylcrotonyl-CoA carboxylase (EC 6.4.1.4), or a geranoyl-CoA carboxylase (EC 6.4.1.5).
• IMPROVED METHODS FOR PRODUCING lSOBUTENE FROM 3-METHYLCROTONIC ACID
  申请人：Global Bioenergies

  公开号：US20210277425A1

  公开（公告）日：2021-09-09

  Described are methods for the production of isobutene comprising the enzymatic conversion of 3-methylcrotonic acid into isobutene wherein the enzymatic conversion of 3-methylcrotonic acid into isobutene is achieved by making use of an FMN-dependent decarboxylase associated with an FMN prenyl transferase, wherein said FMN prenyl transferase catalyzes the prenylation of a flavin cofactor (FMN or FAD) utilizing dimethylallyl phosphate (DMAP) into a flavin-derived cofactor, wherein said method further comprises providing said DMAP enzymatically by: (i) the enzymatic conversion of dimethylallyl pyrophosphate (DMAPP) into said DMAP; or (ii) a single enzymatic step in which prenol is directly enzymatically converted into said DMAP; or (iii) two enzymatic steps comprising: first enzymatically converting DMAPP into prenol; and then enzymatically converting the thus obtained prenol into said DMAP; or (iv) the enzymatic conversion of isopentenyl monophosphate (IMP) into said DMAP, or by a combination of any one of (i) to (iv). Moreover, described are methods for the production of isobutene comprising the enzymatic conversion of 3-methylcrotonic acid into isobutene wherein the enzymatic conversion of 3-methylcrotonic acid into isobutene is achieved by making use of an FMN-dependent decarboxylase associated with an FMN prenyl transferase, wherein said FMN prenyl transferase catalyzes the prenylation of a flavin cofactor (FMN or FAD) utilizing dimethylallyl pyrophosphate (DMAPP), wherein said method further comprises providing said DMAPP enzymatically by: (v) the enzymatic conversion of isopentenyl pyrophosphate (IPP) into said DMAPP; or (vi) the enzymatic conversion of dimethylallyl phosphate (DMAP) into said DMAPP; or (vii) the enzymatic conversion of prenol into said DMAPP; (viii) or by a combination of any one of (v) to (vii). Moreover, described are methods for providing said flavin cofactor enzymatically by the enzymatic conversion of riboflavin into flavin mononucleotide (FMN).