(S)-2-aceto-2-hydroxybutyrate | 113919-07-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: (S)-2-aceto-2-hydroxybutyrate
• 英文别名: (2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid
• CAS: 113919-07-6
• 化学式: C₆H₁₀O₄
• 分子量: 146.143
• InChiKey: VUQLHQFKACOHNZ-LURJTMIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-oxobutanoate 在 Thiamine diphosphate 、 acetohydroxyacid synthase I holoenzyme from Escherichia coli 、 腺嘌呤黄素 、 magnesium chloride 作用下， 以 aq. phosphate buffer 为溶剂， 生成 (S)-2-propionyl-2-hydroxy butyrate 、 (S)-2-aceto-2-hydroxybutyrate
  参考文献：
  名称：

  大肠杆菌乙酰羟酸合酶I全酶体外活性的再研究

  摘要：

  乙酰羟酸合酶（AHAS）是支链氨基酸生物合成的关键酶之一，也是筛选除草剂和抗生素的有效靶点。在本研究中，我们提出了一种制备具有优异稳定性的AHAS I全酶（EcAHAS I）的方法，为我们重新研究该蛋白质的催化特性提供了坚实的基础。结果表明，该方法合成的EcAHAS I与乙酰乳酸合酶具有相似的功能，以丙酮酸和2-酮丁酸(2-KB)为双底物催化，产生包括()-2-乙酰乳酸在内的四种2-羟基-3-酮酸。 、()-2-乙酰-2-羟基丁酸酯、()-2-丙酰基乳酸酯和()-2-丙酰基-2-羟基丁酸酯。反应的定量表明，两种底物几乎完全消耗，并且在四种主要产物中以最高产率形成化合物()-2-乙酰-2-羟基丁酸酯。此外，该蛋白质还缩合两个2-KB分子以提供()-2-丙酰基-2-羟基丁酸酯。进一步的探索表明EcAHAS I连接丙酮酸/2-KB和亚硝基苯生成两个芳基异羟肟酸-羟基-苯基乙酰胺和-羟基-苯基-丙酰胺。这些发现增强了我们对

  DOI：

  10.1016/j.abb.2024.109962

文献信息

• [EN] LABELED CHIRAL ALPHA-HYDROXY KETOACID DERIVATIVES, A PROCESS FOR PREPARING SAID DERIVATIVES AND THEIR USE<br/>[FR] DÉRIVÉS D'ALPHA-HYDROXY-CÉTOACIDE CHIRAUX MARQUÉS, PROCÉDÉ POUR PRÉPARER LESDITS DÉRIVÉS ET LEUR UTILISATION
  申请人：COMMISSARIAT ENERGIE ATOMIQUE

  公开号：WO2014024151A1

  公开（公告）日：2014-02-13

  The present invention relates to labeled chiral alpha-hydroxy ketoacid derivatives, a process for preparing said derivatives and their use for isotopic labeling of amino acids, in particular, for isotopic labeling of methyl groups of amino acids, and more particularly, for specific isotopic labeling of valine, leucine and isoleucine methyl groups, in proteins and biomolecular assemblies. The invention also concerns a process for analyzing proteins and biomoiecular assemblies by NMR spectroscopy comprising a step of isotopic labeling of amino acids, in particular, valine, leucine and isoleucine, in proteins and biomolecular assemblies to be analyzed by the chiral alpha-hydroxy ketoacid derivatives of the invention. The invention further relates to a kit for isotopic labeling of valine, leucine and isoleucine amino acids, in proteins and biomolecular assemblies comprising one or more chiral alpha-hydroxy ketoacid derivatives of the invention.

  本发明涉及标记的手性α-羟基酮酸衍生物，一种制备该衍生物的方法以及它们用于氨基酸的同位素标记，特别是用于氨基酸的甲基基团的同位素标记，更具体地说，用于特定同位素标记蛋白质和生物分子组装中缬氨酸、亮氨酸和异亮氨酸甲基基团的同位素标记。该发明还涉及一种通过NMR光谱分析蛋白质和生物分子组装的方法，其中包括对待分析的蛋白质和生物分子组装中的氨基酸，特别是缬氨酸、亮氨酸和异亮氨酸进行同位素标记，以使用本发明的手性α-羟基酮酸衍生物。此外，该发明涉及一种用于对缬氨酸、亮氨酸和异亮氨酸氨基酸在蛋白质和生物分子组装中进行同位素标记的试剂盒，其中包括本发明的一个或多个手性α-羟基酮酸衍生物。
• 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。
• MODIFIED MICROORGANISM FOR PRODUCTION OF METHIONINE
  申请人：Evonik Degussa GmbH

  公开号：EP3296404A1

  公开（公告）日：2018-03-21

  The present invention relates to recombinant microorganisms useful for the production of L-methionine and/or its derivatives and process for the preparation of L-methionine. More particularly the invention relates to recombinant microorganisms with enhanced production of methionine and attenuated production of at least one by-product chosen among isoleucine, phenylalanine or threonine compared to their non-modified counterparts. Moreover this invention relates to methods of generating such modified microorganisms.

  本发明涉及用于生产 L-蛋氨酸和/或其衍生物的重组微生物以及制备 L-蛋氨酸的工艺。更具体地说，本发明涉及重组微生物，与未经改良的微生物相比，本发明提高了蛋氨酸的产量，并减少了异亮氨酸、苯丙氨酸或苏氨酸中至少一种副产物的产量。此外，本发明还涉及产生这种改良微生物的方法。
• Methods and microorganisms for producing flavors and fragrance chemicals
  申请人：ARDRA INC.

  公开号：US11060079B2

  公开（公告）日：2021-07-13

  The present disclosure relates to biosynthetic pathways for producing flavor and fragrance chemicals, such as green notes including trans-2-unsaturated aldehydes and lactones. The present disclosure provides methods for producing trans-2-unsaturated aldehydes, delta-lactones, and gamma-lactones. The present disclosure provides pathways for the preparation of trans-2-unsaturated aldehydes, delta-lactones, and gamma-lactones by reacting aldehydes in the presence of aldolases.

  本公开涉及生产香精香料化学品的生物合成途径，例如包括反式-2-不饱和醛和内酯在内的绿色香料。本公开提供了生产反式-2-不饱和醛、δ-内酯和γ-内酯的方法。本公开提供了在醛酶存在下通过醛反应制备反式-2-不饱和醛、δ-内酯和γ-内酯的途径。
• Use of ketol-acid reductoisomerase inhibitors to prevent or treat fungal infection of plants
  申请人：——

  公开号：US20040259848A1

  公开（公告）日：2004-12-23

  The invention concerns the use of ketol-acid reductoisomerase inhibitors for treating fungal diseases affecting crops. The invention concerns methods for treating crops against fungal diseases comprising applying a ketol-acid reductoisomerase inhibitor. The invention also concerns methods for identifying novel fungicidal compounds comprising a step which consists in identifying ketol-acid reductoisomerase inhibitors.

  本发明涉及使用酮醇酸还原异构酶抑制剂治疗影响作物的真菌病。 本发明涉及应用酮醇酸还原异构酶抑制剂治疗作物真菌病的方法。 本发明还涉及鉴定新型杀真菌化合物的方法，包括鉴定酮醇酸还原异构酶抑制剂的步骤。