S-(3-methyl-but-3-enoyl)-coenzyme-A | 6008-92-0

• 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-(3-methyl-but-3-enoyl)-coenzyme-A
• 英文别名: S-(3-Methyl-but-3-enoyl)-coenzym-A；3-methylbut-3-enoyl-CoA；S-[2-[3-[[(2R)-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
• CAS: 6008-92-0
• 化学式: C₂₆H₄₂N₇O₁₇P₃S
• 分子量: 849.643
• InChiKey: JBMJJWIKMZYESJ-ZMHDXICWSA-N

物化性质

• 密度：
  1.79±0.1 g/cm3(Predicted)

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

反应信息

• 作为产物：
  描述：

  辅酶 A 、 alkaline earth salt of/the/ methylsulfuric acid 生成 S-(3-methyl-but-3-enoyl)-coenzyme-A
  参考文献：
  名称：

  Wieland; Rueff, Angewandte Chemie, 1953, vol. 65, p. 186

  摘要：

  DOI：

文献信息

• Synthesis of isoprenoids and derivatives
  申请人：William Marsh Rice University

  公开号：US11046978B2

  公开（公告）日：2021-06-29

  This disclosure generally relates to the use of enzyme combinations or recombinant microbes comprising same to make isoprenoid precursors, isoprenoids and derivatives thereof including prenylated aromatic compounds. Novel metabolic pathways exploiting Claisen, aldol, and acyioin condensations are used instead of the natural mevalonate (MVA) pathway or 1-deoxy-d-xylulose 5-phosphate (DXP) pathways for generating isoprenoid precursors such as isopentenyl pyrophosphate (IPP), dimethylallyl pyrophosphate (DMAPP), and geranyl pyrophosphate (GPP). These pathways have the potential for better carbon and or energy efficiency than native pathways. Both decarboxylative and non-carboxylative condensations are utilized, enabling product synthesis from a number of different starting compounds. These condensation reactions serve as a platform for the synthesis of isoprenoid precursors when utilized in combination with a variety of metabolic pathways and enzymes for carbon rearrangement and the addition/removal of functional groups. Isoprenoid alcohols are key intermediary products for the production of isoprenoid precursors in these novel synthetic metabolic pathways.

  本公开内容一般涉及使用酶组合或包含酶组合的重组微生物来制造异戊烯前体、异戊烯及其衍生物，包括前炔基芳香族化合物。利用克来森缩合、醛醇缩合和酰亚胺缩合的新型代谢途径取代了天然的甲羟戊酸（MVA）途径或 1-脱氧-d-木酮糖-5-磷酸（DXP）途径，用于生成焦磷酸异戊烯酯（IPP）、焦磷酸二甲基烯丙基酯（DMAPP）和焦磷酸香叶酯（GPP）等异戊烯前体。与原生途径相比，这些途径具有更高的碳效率和能量效率。利用脱羧和非羧缩合反应，可以从多种不同的起始化合物中合成产品。这些缩合反应可作为合成异戊二烯前体的平台，与各种代谢途径和酶结合使用，进行碳重排和官能团的添加/去除。在这些新型合成代谢途径中，异戊二烯醇是生产异戊二烯前体的关键中间产物。
• 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）。
• Woesner et al., Journal of Biological Chemistry, 1958, vol. 233, p. 520,522
  作者：Woesner et al.

  DOI：——

  日期：——
• METHODS FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONIC ACID
  申请人：Global Bioenergies

  公开号：EP3377639A2

  公开（公告）日：2018-09-26
• MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS
  申请人：William Marsh Rice University

  公开号：EP3430151A1

  公开（公告）日：2019-01-23