(S)-3-hydroxybutyryl-Coenzyme A | 22138-45-0

• 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-hydroxybutyryl-Coenzyme A
• 英文别名: (3S)-hydroxybutyryl-CoA；3S-hydroxybutyryl-coenzyme A；(S)-3-hydroxybutyryl-CoA；3S-hydroxybutyryl-CoA；S-((S)-3-hydroxy-butyryl)-coenzyme-A；S-((S)-3-Hydroxy-butyryl)-coenzym-A；(S)-3-hydroxybutanoyl-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] (3S)-3-hydroxybutanethioate
• CAS: 22138-45-0
• 化学式: C₂₅H₄₂N₇O₁₈P₃S
• 分子量: 853.632
• InChiKey: QHHKKMYHDBRONY-VKBDFPRVSA-N

物化性质

• 密度：
  1.87±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.9
• 重原子数：
  54
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  409
• 氢给体数：
  10
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  (S)-3-hydroxybutyryl-Coenzyme A 生成 S-乙酰乙酰基辅酶a
  参考文献：
  名称：

  来自猪心脏的结晶性β-羟基丁酰脱氢酶。

  摘要：

  DOI：

  10.1016/0006-3002(57)90040-9
• 作为产物：
  描述：

  辅酶 A 生成 (S)-3-hydroxybutyryl-Coenzyme A
  参考文献：
  名称：

  Stern; del Campillo, Journal of Biological Chemistry, 1956, vol. 218, p. 985,1000

  摘要：

  DOI：

文献信息

• Stereospecific Formation of <i>E</i>- and <i>Z</i>-Disubstituted Double Bonds by Dehydratase Domains from Modules 1 and 2 of the Fostriecin Polyketide Synthase
  作者：Dhara D. Shah、Young-Ok You、David E. Cane

  DOI：10.1021/jacs.7b08896

  日期：2017.10.11

  shown to catalyze the NADPH-dependent stereospecific reduction of 3-ketobutyryl-FosACP2 (23) to (3S)-3-hydroxybutyryl-FosACP2 (8). Consistent with this finding, FosDH2 catalyzed the interconversion of the corresponding triketide substrates (3R,4E)-3-hydroxy-4-hexenoyl-FosACP2 (18) and (2Z,4E)-2,4-hexadienoyl-FosACP2 (21). FosDH2 also catalyzed the stereospecific hydration of (Z)-2-butenoyl-FosACP2 (14)

  邻苯二酚聚酮合酶（PKS）模块1的脱水酶结构域FosDH1催化了（3 R）-3-羟基丁酰-FosACP1（5）和（E）-2-丁烯酰基-FosACP1（11）的立体有择互变。直接LC-MS / MS和手性GC-MS的组合。FosDH1既不作用于（3 S）-3-羟基丁酰基-FosACP1（6）也不作用于（Z）-2-丁烯酰基-FosACP1（12）。研究显示，FosKR2是一种从邻苯二酸PKS的模块2还原而来的酮还原酶，通常可为FosDH2提供天然底物，该酶可催化NADPH依赖性的3-酮丁酰-FosACP2（23）立体定向还原至（3 S）-3-羟基丁酰基-FosACP2（8）。符合这一发现，FosDH2催化了相应的三酮化合物底物（3 R，4 E）-3-羟基-4-己烯酰基-FosACP2（18）和（2 Z，4 E）-2,4-己二烯酰基-FosACP2的相互转化（21）。FosDH2还催化了（Z）-
• [EN] ENZYMATIC PRODUCTION OF ACRYLYL-COA OR ETHYLENE FROM GLYCEROL<br/>[FR] PRODUCTION ENZYMATIQUE D'ACRYLYL-COA OU D'ÉTHYLÈNE À PARTIR DE GLYCÉROL
  申请人：GLOBAL BIOENERGIES

  公开号：WO2016097289A1

  公开（公告）日：2016-06-23

  Described is a method for the production of acrylyl-CoA from glycerol comprising the following steps: (a) the enzymatic conversion of glycerol into 3-hydroxypropionaldehyde; (b) the enzymatic conversion of said 3-hydroxypropionaldehyde into 3-hydroxypropionyl-CoA; and (c) the enzymatic conversion of said 3-hydroxypropionyl-CoA into acrylyl-CoA. Further enzymatic conversion of acrylyl-CoA into other products are disclosed. Further described is a method for the production of ethylene comprising the enzymatic conversion of propionic acid into ethylene. It is described that the enzymatic conversion of propionic acid into ethylene can be achieved by making use of a cytochrome P450 fatty acid decarboxylase or a non-heme iron oxygenase. Further, it is described that said propionic acid can be obtained by the enzymatic conversion of acrylyl-CoA into said propionic acid.

  描述了一种从甘油生产丙烯酰辅酶A的方法，包括以下步骤：(a) 将甘油酶转化为3-羟基丙醛；(b) 将所述3-羟基丙醛酶转化为3-羟基丙酰辅酶A；以及(c) 将所述3-羟基丙酰辅酶A酶转化为丙烯酰辅酶A。进一步披露了丙烯酰辅酶A的进一步酶转化为其他产品的方法。进一步描述了一种生产乙烯的方法，包括将丙酸酶转化为乙烯。描述了通过利用细胞色素P450脂肪酸脱羧酶或非血红素铁氧酶将丙酸酶转化为乙烯的方法。此外，还描述了通过将丙烯酰辅酶A酶转化为所述丙酸来获得所述丙酸的方法。
• Methods for the production of n-butanol
  申请人：Khramtsov Nikolai

  公开号：US20100129885A1

  公开（公告）日：2010-05-27

  Embodiments of the present invention include methods for the production of four carbon alcohols, specifically n-butanol, by a consolidated bioprocessing approach for the conversion of cellulosic material to the desired end product. According to some embodiments, recombinant microbial host cells are provided, preferably S. cerevisiae , that are capable of converting cellulosic material to butanol and include butanol biosynthetic pathway genes and cellulase genes. According to some embodiments, recombinant microbial host cells are provided, preferably S. cerevisiae , that are capable of converting hemicellulosic material to butanol and include cellulase genes, butanol biosynthetic pathway genes and at least one gene for the conversion of a pentose sugar.

  本发明实施例包括通过综合生物加工方法生产四碳醇（特别是正丁醇）的方法，用于将纤维素材料转化为所需的最终产品。根据某些实施例，提供了重组微生物宿主细胞，优选为S. cerevisiae，能够将纤维素材料转化为丁醇，并包括丁醇生物合成途径基因和纤维素酶基因。根据某些实施例，提供了重组微生物宿主细胞，优选为S. cerevisiae，能够将半纤维素材料转化为丁醇，并包括纤维素酶基因、丁醇生物合成途径基因和至少一个用于转化戊糖糖的基因。
• METHODS FOR THE PRODUCTION OF N-BUTANOL
  申请人：Khramtsov Nikolai

  公开号：US20100261241A1

  公开（公告）日：2010-10-14

  Embodiments of the present invention include methods for the production of four carbon alcohols, specifically n-butanol, by a consolidated bioprocessing approach for the conversion of cellulosic material to the desired end product. According to some embodiments, recombinant microbial host cells are provided, preferably S. cerevisiae , that are capable of converting cellulosic material to butanol and include butanol biosynthetic pathway genes and cellulase genes.

  本发明的实施例包括通过一种综合生物加工方法将纤维素材料转化为所需的四碳醇，特别是正丁醇的生产方法。根据某些实施例，提供了重组微生物宿主细胞，优选为酿酒酵母，它们能够将纤维素材料转化为丁醇并包括丁醇生物合成途径基因和纤维素酶基因。
• BIOCONVERSION PROCESS FOR PRODUCING NYLON-7, NYLON-7,7 AND POLYESTERS
  申请人：INVISTA TECHNOLOGIES S.a.r.l.

  公开号：US20150337275A1

  公开（公告）日：2015-11-26

  Embodiments of the present invention relate to methods for the biosynthesis of di- or trifunctional C7 alkanes in the presence of isolated enzymes or in the presence of a recombinant host cell expressing those enzymes. The di- or trifunctional C7 alkanes are useful as intermediates in the production of nylon-7, nylon-7,x, nylon-x,7, and polyesters.

  本发明实施例涉及在分离酶存在或在表达这些酶的重组宿主细胞存在下，生物合成双或三功能C7烷的方法。这些双或三功能C7烷在生产尼龙-7、尼龙-7，x、尼龙-x，7和聚酯中作为中间体是有用的。