2-hydroxyisobutyryl-CoA | 1383119-39-8

• 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: 2-hydroxyisobutyryl-CoA
• 英文别名: 2-hydroxyisobutanoyl-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] 2-hydroxy-2-methylpropanethioate
• CAS: 1383119-39-8
• 化学式: C₂₅H₄₂N₇O₁₈P₃S
• 分子量: 853.632
• InChiKey: FFVUICCDNWZCRC-ZSJPKINUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.7
• 重原子数：
  54
• 可旋转键数：
  21
• 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：

  2-hydroxyisobutyryl-CoA 在 2-hydroxyisobutyryl coenzyme A mutase 作用下， 生成 beta-羟基丁酰基-辅酶 A
  参考文献：
  名称：

  异戊酰-CoA 和新戊酰-CoA 的新型辅酶 B12 依赖性相互转化。

  摘要：

  5'-脱氧腺苷钴胺素 (AdoCbl) 依赖性异构酶使用自由基化学催化碳骨架重排。我们最近表征了一种融合蛋白，该蛋白包含 AdoCbl 依赖性异丁酰-CoA 变位酶的两个亚基，侧翼有一个 G 蛋白伴侣，并将其命名为异丁酰-CoA 变位酶融合 (IcmF)。IcmF 催化异丁酰辅酶 A 和正丁酰辅酶 A 的相互转化，而 GTP 酶活性与其 G 蛋白结构域相关。在这项研究中，我们报告了一种与 IcmF 相关的新活性，即异戊酰辅酶 A 和新戊酰辅酶 A 的相互转化。IcmF 的动力学表征产生以下值：异戊酰辅酶 A 的 K(m) 为 62 +/- 8 muM 和 V(max) 为 0.021 +/- 0.004 mumol min(-1) mg(-1) 在 37 度C。生化实验表明，其中碱基特异性环基序 NKXD 被修饰为 NKXE 的 IcmF 催化 GTP 和 ATP 的水解。IcmF 在转换过程中很容易快速失活，而

  DOI：

  10.1074/jbc.m111.320051

文献信息

• [EN] NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE<br/>[FR] NOUVEAUX COMPOSÉS BICYCLIQUES DESTINÉS À ÊTRE UTILISÉS COMME MÉDICAMENT, EN PARTICULIER POUR LE TRAITEMENT DE LA MALADIE DE PARKINSON
  申请人：CAPROTEC BIOANALYTICS GMBH

  公开号：WO2017103278A1

  公开（公告）日：2017-06-22

  The invention relates to novel small molecule compounds having a basic structure as depicted by formula (A), where in particular exemplary embodiments R1 is -OH, R2 is -NO2 and R3 is H, R4 and R5 are H, one of R6 and R7 is selected from H, -CONH2, and -CONR92, and the other one is selected from -CONR92 and -CONR11R9, wherein R9 and R11 are (possibly multiply) substituted alkyl and H or alkyl, respectively. The compounds of the invention inhibit the enzyme Catechol-O-methyltransferase (COMT) and exhibit a low off- target profile. The compounds are provided for use as a medicament, in particular for use in prevention or treatment of Parkinson's disease.

  该发明涉及具有如(A)式所示基本结构的新型小分子化合物，其中特别是示例性实施例中，R1为-OH，R2为-NO2，R3为H，R4和R5为H，R6和R7中的一个选择自H，-CONH2和-CONR92，另一个选择自-CONR92和-CONR11R9，其中R9和R11分别为(可能多次)取代的烷基和H或烷基。该发明的化合物抑制儿茶酚-O-甲基转移酶(COMT)酶，并具有低的非靶标剖面。该化合物可用作药物，特别用于预防或治疗帕金森病。
• [EN] BIOLOGICAL FERMENTATION USING DIHYDROXYACETONE AS A SOURCE OF CARBON<br/>[FR] FERMENTATION BIOLOGIQUE UTILISANT DE LA DIHYDROXYACÉTONE COMME SOURCE DE CARBONE
  申请人：KEMBIOTIX LLC

  公开号：WO2017139420A1

  公开（公告）日：2017-08-17

  The present invention relates to the use of hydrocarbons derived from natural gas in the fermentative production of biochemicals including biofuels. More specifically, the present invention provides the method for manufacturing dihydroxyacetone ("DHA") from natural gas, biogas, biomass and CO2 released from industrial plants including electricity-generating plants, steel mills and cement factories and the use of DHA as a source of organic carbon in the fermentative production of biochemicals including biofuels. The present invention comprises three stages. In the first stage of the present invention, syngas and formaldehyde are produced from natural gas, biogas, biomass and CO2 released from industrial plants. In the second stage of the present invention, formaldehyde and syngas are condensed to produce DHA. In the third stage of the present invention, biochemicals including biofuels are produced from DHA using fermentation process involving wild type or genetically modified microbial biocatalysts.

  本发明涉及使用从天然气中提取的碳氢化合物在生物化学品，包括生物燃料的发酵生产中的应用。更具体地说，本发明提供了一种从天然气、沼气、生物质和工业厂房中释放的CO2中制造二羟基丙酮（"DHA"）的方法，以及将DHA作为有机碳源在发酵生产中制造生物化学品，包括生物燃料的应用。本发明包括三个阶段。在本发明的第一阶段中，从天然气、沼气、生物质和工业厂房中释放的CO2中产生合成气和甲醛。在本发明的第二阶段中，甲醛和合成气被凝结成DHA。在本发明的第三阶段中，使用野生型或基因改造的微生物生物催化剂进行发酵过程，从DHA中生产生物化学品，包括生物燃料。
• MICROORGANISMS FOR PRODUCING METHACRYLIC ACID AND METHACRYLATE ESTERS AND METHODS RELATED THERETO
  申请人：BURK Mark J.

  公开号：US20130065279A1

  公开（公告）日：2013-03-14

  The invention provides a non-naturally occurring microbial organism having a methacrylic acid, methacrylate ester, 3-hydroxyisobutyrate and/or 2-hydroxyisobutyrate pathway. The microbial organism contains at least one exogenous nucleic acid encoding an enzyme in a methacrylic acid pathway. The invention additionally provides a method for producing methacrylic acid, methacrylate ester, 3-hydroxyisobutyrate and/or 2-hydroxyisobutyrate. The method can include culturing methacrylic acid, methacrylate ester, 3-hydroxyisobutyrate and/or 2-hydroxyisobutyrate producing microbial organism, where the microbial organism expresses at least one exogenous nucleic acid encoding a methacrylic acid pathway enzyme in a sufficient amount to produce methacrylic acid, methacrylate ester, 3-hydroxyisobutyrate and/or 2-hydroxyisobutyrate, under conditions and for a sufficient period of time to produce methacrylic acid, methacrylate ester, 3-hydroxyisobutyrate and/or 2-hydroxyisobutyrate.

  本发明提供了一种非自然存在的微生物，其具有甲基丙烯酸、甲基丙烯酸酯、3-羟基异丁酸和/或2-羟基异丁酸途径。该微生物含有至少一个外源性核酸，编码甲基丙烯酸途径中的一种酶。本发明还提供了一种生产甲基丙烯酸、甲基丙烯酸酯、3-羟基异丁酸和/或2-羟基异丁酸的方法。该方法可以包括培养产生甲基丙烯酸、甲基丙烯酸酯、3-羟基异丁酸和/或2-羟基异丁酸的微生物，在条件和足够的时间下，微生物表达至少一个外源性核酸编码的甲基丙烯酸途径酶，以产生甲基丙烯酸、甲基丙烯酸酯、3-羟基异丁酸和/或2-羟基异丁酸。
• ORGANISMS FOR THE PRODUCTION OF ISOPROPANOL, n-BUTANOL, AND ISOBUTANOL
  申请人：Burgard Anthony P.

  公开号：US20100323418A1

  公开（公告）日：2010-12-23

  A non-naturally occurring microbial organism having an isopropanol pathway includes at least one exogenous nucleic acid encoding an isopropanol pathway enzyme. The pathway includes an enzyme selected from a 4-hydroxybutyryl-CoA dehydratase, a crotonase, a 3-hydroxybutyryl-CoA dehydrogenase, an acetoacetyl-CoA synthetase, an acetyl-CoA:acetoacetate-CoA transferase, an acetoacetyl-CoA hydrolase, an acetoacetate decarboxylase, and an acetone reductase. A non-naturally occurring microbial organism having an n-butanol pathway includes at least one exogenous nucleic acid encoding an n-butanol pathway enzyme. Other non-naturally occurring microbial organism have n-butanol or isobutanol pathways. The organisms are cultured to produce isopropanol, n-butanol, or isobutanol.

  具有异丙醇途径的非自然微生物生物体包括至少一种外源核酸，编码异丙醇途径酶。途径包括从4-羟基丁酰辅酶A脱水酶、丙烯酰辅酶A环化酶、3-羟基丁酰辅酶A脱氢酶、乙酰乙酰辅酶A合成酶、乙酰辅酶A：乙酰乙酸辅酶A转移酶、乙酰乙酰辅酶A水解酶、乙酰乙酸盐脱羧酶和丙酮还原酶中选择的酶。具有正丁醇途径的非自然微生物生物体包括至少一种外源核酸，编码正丁醇途径酶。其他非自然微生物生物体具有正丁醇或异丁醇途径。这些生物体被培养以生产异丙醇、正丁醇或异丁醇。
• Biotechnological 2-hydroxyisobutyric acid production
  申请人：Evonik Industries AG

  公开号：EP2674489A1

  公开（公告）日：2013-12-18

  The present invention relates to a knallgas bacterium or acetogenic bacterium expressing a 2-hydroxyisobutyryl-coenzyme A mutase, a method for the production of 2-hydroxyisobutyric acid, comprising contacting in an aqueous medium the knallgas bacterium or acetogenic with a gas mixture comprising hydrogen and carbon dioxide and the use of the knallgas bacterium or acetogenic bacterium for the production of 2-hydroxyisobutyric acid.

  本发明涉及一种表达 2-羟基异丁酰辅酶 A 突变酶的节气细菌或产乙酰菌；一种生产 2-羟基异丁酸的方法，包括在水介质中将节气细菌或产乙酰菌与由氢气和二氧化碳组成的混合气体接触，以及利用节气细菌或产乙酰菌生产 2-羟基异丁酸。