(R)-3-hydroxybutyryl-Coenzyme A | 21804-29-5

• 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: (R)-3-hydroxybutyryl-Coenzyme A
• 英文别名: (3R)-hydroxybutyryl-CoA；(R)-3-hydroxybutyrate CoA thioester；3R-hydroxybutyryl-coenzyme A；3R-hydroxybutyryl-CoA；HBCoA；S-((R)-3-hydroxy-butyryl)-coenzyme-A；(R)-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] (3R)-3-hydroxybutanethioate
• CAS: 21804-29-5
• 化学式: C₂₅H₄₂N₇O₁₈P₃S
• 分子量: 853.632
• InChiKey: QHHKKMYHDBRONY-WZZMXTMRSA-N

物化性质

• 密度：
  1.87±0.1 g/cm3(Predicted)
• 物理描述：
  Solid

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：

  (R)-3-hydroxybutyryl-Coenzyme A 在 3-hydroxy-acyl-coa-dehydrogenase 作用下， 生成 S-乙酰乙酰基辅酶a
  参考文献：
  名称：

  Lehninger; Greville, Biochimica et Biophysica Acta, 1953, vol. 12, p. 189

  摘要：

  DOI：
• 作为产物：
  描述：

  S-乙酰乙酰基辅酶a 在 acetoacetyl-coa-reduktase 作用下， 生成 (R)-3-hydroxybutyryl-Coenzyme A
  参考文献：
  名称：

  WAKIL; BRESSLER, Journal of Biological Chemistry, 1962, vol. 237, p. 687 - 693

  摘要：

  DOI：

文献信息

• [EN] METHODS FOR PRODUCING 3-HYDROXY-3-METHYLBUTYRIC ACID<br/>[FR] PROCÉDÉS POUR PRODUIRE DE L'ACIDE 3-HYDROXY-3-MÉTHYLBUTYRIQUE
  申请人：GLOBAL BIOENERGIES

  公开号：WO2016042012A1

  公开（公告）日：2016-03-24

  Described is a method for the conversion of 3-methylcrotonyl-CoA into 3-hydroxy-3- methylbutyric acid comprising the steps of: (a) enzymatically converting 3-methylcrotonyl-CoA into 3-hydroxy-3-methylbutyryl-CoA; and (b) further enzymatically converting the thus produced 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyric acid wherein the enzymatic conversion of 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyric acid according to step (b) is achieved by first converting 3-hydroxy-3-methylbutyryl-CoA into 3-hydroxy-3-methylbutyryl phosphate and then subsequently converting the thus produced 3-hydroxy-3-methylbutyryl phosphate into 3-hydroxy-3-methylbutyric acid.

  描述了一种将3-甲基丙酰辅酶A转化为3-羟基-3-甲基丁酸的方法，包括以下步骤：(a)将3-甲基丙酰辅酶A酶促转化为3-羟基-3-甲基丁酰辅酶A；(b)进一步将所产生的3-羟基-3-甲基丁酰辅酶A酶促转化为3-羟基-3-甲基丁酸，其中根据步骤(b)将3-羟基-3-甲基丁酰辅酶A酶促转化为3-羟基-3-甲基丁酸的方法是首先将3-羟基-3-甲基丁酰辅酶A转化为3-羟基-3-甲基丁酰磷酸，然后随后将所产生的3-羟基-3-甲基丁酰磷酸转化为3-羟基-3-甲基丁酸。
• 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。
• METHOD FOR PRODUCING ACYL AMINO ACIDS
  申请人：CORTHALS Jasmin

  公开号：US20160272950A1

  公开（公告）日：2016-09-22

  The present invention relates to a cell expressing an amino acid-N-acyl-transferase, which is preferably recombinant, and an acyl-CoA synthetase, which is preferably recombinant, wherein the cell has a reduced fatty acid degradation capacity, a method for producing acyl amino acids, comprising the step contacting an amino acid and an acyl CoA in the presence of an amino acid-N-acyl-transferase, which is preferably isolated and/or recombinant, wherein the amino acid-N-acyl-transferase is preferably a human amino acid-N-acyl-transferase, or culturing the cell and a reaction mixture comprising an amino acid-N-acyl-transferase, which is preferably isolated and/or recombinant, an acyl-CoA synthetase, which is preferably isolated and/or recombinant, an amino acid and either a fatty acid-CoA or a fatty acid and an acyl-CoA-synthase.

  本发明涉及一种表达氨基酸-N-酰基转移酶的细胞，该细胞优选为重组细胞，以及表达酰基辅酶A合成酶的细胞，该细胞优选为重组细胞，其中该细胞具有降低脂肪酸降解能力，制备酰基氨基酸的方法，包括将氨基酸和酰基辅酶A在氨基酸-N-酰基转移酶的存在下接触，该氨基酸-N-酰基转移酶优选为分离和/或重组的人类氨基酸-N-酰基转移酶，或培养细胞和反应混合物，包括氨基酸-N-酰基转移酶，该氨基酸-N-酰基转移酶优选为分离和/或重组的，酰基辅酶A合成酶，该酰基辅酶A合成酶优选为分离和/或重组的，氨基酸和脂肪酸-CoA或脂肪酸和酰基辅酶A合成酶。
• Probe compound for detecting and isolating enzymes and means and methods using the same
  申请人：Helmholtz-Zentrum für Infektionsforschung GmbH

  公开号：EP2230312A1

  公开（公告）日：2010-09-22

  The present invention relates to a probe compound that can comprise any substrate or metabolite of an enzymatic reaction in addition to an indicator component, such as, for example, a fluorescence dye, or the like. Moreover, the present invention relates to means for detecting enzymes in form of an array, which comprises any number of probe compounds of the invention which each comprise a different metabolite of interconnected metabolites representing the central pathways in all forms of life. Moreover, the present invention relates to a method for detecting enzymes involving the application of cell extracts or the like to the array of the invention which leads to reproducible enzymatic reactions with the substrates. These specific enzymatic reactions trigger the indicator (e.g. a fluorescence signal) and bind the enzymes to the respective cognate substrates. Moreover, the invention relates to means for isolating enzymes in form of nanoparticles coated with the probe compound of the invention. The immobilisation of the cognate substrates or metabolites on the surface of nanoparticles by means of the probe compounds allows capturing and isolating the respective enzyme, e.g. for subsequent sequencing.

  本发明涉及一种探针化合物，它可以包括酶反应的任何底物或代谢物，此外还包括指示成分，例如荧光染料或类似物。此外，本发明还涉及以阵列形式检测酶的方法，该阵列由任意数量的本发明探针化合物组成，每种探针化合物由代表所有生命形式中中心途径的相互关联的代谢物中的不同代谢物组成。此外，本发明还涉及一种检测酶的方法，该方法涉及将细胞提取物或类似物应用于本发明的阵列，从而导致与底物发生可重复的酶反应。这些特定的酶反应会触发指示剂（如荧光信号），并将酶与各自的同源底物结合。此外，本发明还涉及以涂覆有本发明探针化合物的纳米颗粒形式分离酶的方法。通过探针化合物将同源底物或代谢物固定在纳米颗粒表面，可以捕获和分离相应的酶，例如用于后续测序。