3-hydroxy-3-methylbutyryl-CoA | 6711-29-1

• 物质功能分类: 医药中间体 - 杂环化合物
• 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-hydroxy-3-methylbutyryl-CoA
• 英文别名: 3-methylhydroxybutyryl-CoA；S-(β-hydroxy-isovaleryl)-coenzyme-A；S-(β-Hydroxy-isovaleryl)-coenzym-A；3-Hydroxyisovaleryl-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-hydroxy-3-methylbutanethioate
• CAS: 6711-29-1
• 化学式: C₂₆H₄₄N₇O₁₈P₃S
• 分子量: 867.659
• InChiKey: PEVZKILCBDEOBT-CITAKDKDSA-N

物化性质

• 密度：
  1.82±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  55
• 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：
  409
• 氢给体数：
  10
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  3-hydroxy-3-methylbutyryl-CoA 在 thioesterase 、 水 作用下， 生成 β-羟基异戊酸
  参考文献：
  名称：

  [EN] METHODS FOR PRODUCING 3-HYDROXY-3-METHYLBUTYRIC ACID
  [FR] PROCÉDÉS POUR PRODUIRE DE L'ACIDE 3-HYDROXY-3-MÉTHYLBUTYRIQUE

  摘要：

  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。

  公开号：

  WO2016042012A1
• 作为产物：
  描述：

  辅酶 A 生成 3-hydroxy-3-methylbutyryl-CoA
  参考文献：
  名称：

  Bachhawat et al., Journal of Biological Chemistry, 1956, vol. 219, p. 539,549

  摘要：

  DOI：

文献信息

• Method for the enzymatic production of 3-hydroxy-3-methylbutyric acid from acetone and acetyl-CoA
  申请人：Scientist of Fortune S.A.

  公开号：EP2940141A1

  公开（公告）日：2015-11-04

  Described is a method for the production of 3-hydroxy-3-methylbutyric acid (also referred to as beta-hydroxyisovalerate or HIV) from acetone and a compound which provides an activated acetyl group comprising the enzymatic conversion of acetone and a compound which provides an activated acetyl group into 3-hydroxy-3-methylbutyric acid. The conversion makes use of an enzyme which is capable of catalyzing the formation of a covalent bond between the carbon atom of the oxo (i.e. the C=O) group of acetone and the methyl group of the compound which provides an activated acetyl group. Preferably, the enzyme employed in the process is an enzyme with the activity of a HMG CoA synthase (EC 2.3.3.10) and/or a PksG protein and/or an enzyme with the activity of a C-C bond cleavage/condensation lyase, such as a HMG CoA lyase (EC 4.1.3.4). Also described are organisms which are able to produce 3-hydroxy-3-methylbutyric acid from acetone, a compound which provides an activated acetyl group, the use of the above-mentioned enzymes and organisms for the production of 3-hydroxy-3-methylbutyric acid as well as the use of acetone for the production of 3-hydroxy-3-methylbutyric acid.

  本方法涉及从丙酮和提供活化乙酰基的化合物中生产3-羟基-3-甲基丁酸（也称为β-羟基异戊酸或HIV）的方法，包括将丙酮和提供活化乙酰基的化合物经酶催化转化为3-羟基-3-甲基丁酸。转化利用一种能够催化丙酮的羰基（即C=O）基团的碳原子和提供活化乙酰基的化合物的甲基团之间形成共价键的酶。最好采用的酶是具有HMG CoA合成酶（EC 2.3.3.10）和/或PksG蛋白质活性以及C-C键裂解/缩合裂解酶活性（例如HMG CoA裂解酶（EC 4.1.3.4））的酶。本方法还涉及能够从丙酮和提供活化乙酰基的化合物中产生3-羟基-3-甲基丁酸的生物体，以及上述酶和生物体用于生产3-羟基-3-甲基丁酸的用途，以及丙酮用于生产3-羟基-3-甲基丁酸的用途。
• 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。
• Method for the enymatic production of 3-hydroxy-3-methylbutyric acid from acetone and acetyl-CoA
  申请人：Marliere, Philippe

  公开号：EP2295593A1

  公开（公告）日：2011-03-16

  Described is a method for the production of 3-hydroxy-3-methylbutyric acid (also referred to as beta-hydroxyisovalerate or HIV) from acetone and a compound which provides an activated acetyl group comprising the enzymatic conversion of acetone and a compound which provides an activated acetyl group into 3-hydroxy-3-methylbutyric acid. The conversion makes use of an enzyme which is capable of catalyzing the formation of a covalent bond between the carbon atom of the oxo (i.e. the C=O) group of acetone and the methyl group of the compound which provides an activated acetyl group. Preferably, the enzyme employed in the process is an enzyme with the activity of a HMG CoA synthase (EC 2.3.3.10) and/or a PksG protein and/or an enzyme with the activity of a C-C bond cleavage/condensation lyase, such as a HMG CoA lyase (EC 4.1.3.4). Also described are organisms which are able to produce 3-hydroxy-3-methylbutyric acid from acetone, a compound which provides an activated acetyl group, the use of the above-mentioned enzymes and organisms for the production of 3-hydroxy-3-methylbutyric acid as well as the use of acetone for the production of 3-hydroxy-3-methylbutyric acid.

  本发明描述了一种从丙酮和提供活化乙酰基的化合物生产 3-羟基-3-甲基丁酸（又称 β-羟基异戊酸或 HIV）的方法，包括用酶将丙酮和提供活化乙酰基的化合物转化为 3-羟基-3-甲基丁酸。这种转化使用一种酶，这种酶能够催化丙酮的氧代（即 C=O）基团的碳原子与提供活化乙酰基的化合物的甲基之间形成共价键。优选地，工艺中使用的酶是具有 HMG CoA 合成酶（EC 2.3.3.10）和/或 PksG 蛋白活性的酶和/或具有 C-C 键裂解/缩合裂解酶活性的酶，如 HMG CoA 裂解酶（EC 4.1.3.4）。还描述了能够从丙酮（一种提供活化乙酰基的化合物）中生产 3-羟基-3-甲基丁酸的生物、使用上述酶和生物生产 3-羟基-3-甲基丁酸以及使用丙酮生产 3-羟基-3-甲基丁酸。
• Microorganism with modified aldehyde:ferredoxin oxidoreductase activity and related methods
  申请人：LanzaTech, Inc.

  公开号：US10294498B2

  公开（公告）日：2019-05-21

  The invention provides a non-naturally occurring bacterium having decreased or eliminated activity of an enzyme that catalyzes the reaction defined by EC 1.2.7.5, such as aldehyde:ferredoxin oxidoreductase (AOR). Optionally, the bacterium also has decreased or eliminated activity of an enzyme that catalyzes the reaction defined by EC 1.2.1.10 and/or EC 1.1.1.1, such as aldehyde dehydrogenase, alcohol dehydrogenase, or bifunctional aldehyde/alcohol dehydrogenase. The invention further provides methods of producing products by culturing the bacterium in the presence of a gaseous substrate containing one or more of CO, CO2, and H2.

  本发明提供了一种非天然细菌，其催化 EC 1.2.7.5 所定义反应的酶，如醛：铁氧还蛋白氧化还原酶 (AOR) 的活性降低或消失。可选地，细菌还降低或消除了催化 EC 1.2.1.10 和/或 EC 1.1.1.1 所定义反应的酶的活性，如醛脱氢酶、醇脱氢酶或双功能醛/醇脱氢酶。本发明进一步提供了在含有 CO、CO2 和 H2 中的一种或多种的气态底物存在下培养细菌生产产品的方法。
• Genetically engineered bacterium for the production of isobutylene
  申请人：LanzaTech New Zealand Limited

  公开号：US10316337B2

  公开（公告）日：2019-06-11

  The invention relates to a genetically engineered bacterium having an enzyme that converts 3-hydroxyisovaleryl-CoA to 3-hydroxyisovalerate and an enzyme that converts 3-hydroxyisovalerate to isobutylene. Typically, the bacterium is capable of producing isobutylene from a gaseous substrate containing CO, CO2, and/or H2, such as syngas or an industrial waste gas.

  本发明涉及一种基因工程细菌，该细菌具有一种将 3-羟基异戊酰基-CoA 转化为 3-羟基异戊酸的酶和一种将 3-羟基异戊酸转化为异丁烯的酶。通常情况下，该细菌能够从含有 CO、CO2 和/或 H2 的气态底物（如合成气或工业废气）中生产异丁烯。