3-氧代己酰-辅酶A | 19774-86-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-氧代己酰-辅酶A
• 英文名称: 3-oxohexanoyl-CoA
• 英文别名: 3-oxohexanoyl coenzyme A；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-oxohexanethioate
• CAS: 19774-86-8
• 化学式: C₂₇H₄₄N₇O₁₈P₃S
• 分子量: 879.67
• InChiKey: NFOYYXQAVVYWKV-HDRQGHTBSA-N

物化性质

• 密度：
  1.80±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5
• 重原子数：
  56
• 可旋转键数：
  24
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  406
• 氢给体数：
  9
• 氢受体数：
  23

反应信息

• 作为产物：
  描述：

  3-oxocaproic acid 、 辅酶 A 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 3-氧代己酰-辅酶A
  参考文献：
  名称：

  3ketohexanoyl-Coenzyme A의 합성 방법

  摘要：

  本发明涉及一种合成3酮己酰辅酶A的方法，该化合物用作测量用于脂肪酸合成和分解的酶活性的底物化合物。根据本发明，可以通过简单的合成方法提供用作测量用于脂肪酸合成和分解的酶活性的底物化合物3酮己酰辅酶A。

  公开号：

  KR20180060245A

文献信息

• Discovery and Engineering of Pathways for Production of α-Branched Organic Acids
  作者：Michael R. Blaisse、Hongjun Dong、Beverly Fu、Michelle C. Y. Chang

  DOI：10.1021/jacs.7b07400

  日期：2017.10.18

  branch using a propionyl-CoA extender unit. Engineering synthetic pathways for production of α-methyl acids in Escherichia coli using these enzymes allows the construction of microbial strains that produce either chiral 2-methyl-3-hydroxy acids (1.1 ± 0.2 g L-1) or branched enoic acids (1.12 ± 0.06 g L-1) in the presence of a dehydratase at 44% and 87% yield of fed propionate, respectively. In vitro characterization

  基于细胞的合成为从简单的可再生碳源制备小分子提供了许多机会，通过将多个反应伸缩到一个发酵步骤中。该领域的一个挑战是开发酶促碳-碳键形成循环，使目标结构模块化断开为细胞构建块。在这方面，基于硫解酶催化酰基辅酶 A (CoA) 底物之间初始碳-碳键形成步骤的合成途径为生物合成提供了通用途径，但目前此类途径的底物多样性有限。在本报告中，我们描述了参与蛔虫蛔虫中分支酸产生的硫解酶-酮还原酶对的鉴定和生化表征，这证明了使用丙酰辅酶 A 扩展单元形成具有 α-甲基支链的产物的选择性。使用这些酶在大肠杆菌中设计用于生产 α-甲基酸的工程合成途径，可以构建生产手性 2-甲基-3-羟基酸 (1.1 ± 0.2 g L-1) 或支链烯酸 (1.12 ± 0.06 g L-1) 在脱水酶的存在下，进料丙酸盐的产率分别为 44% 和 87%。体外表征和体内分析表明，酮还原酶是选择性的关键驱动因素，即使与高度偏爱无
• Transgenic systems for the manufacture of poly(3-hydroxy-butyrate-CO-3-hydroxyhexanoate)
  申请人：METABOLIX, INC.

  公开号：EP2088198A2

  公开（公告）日：2009-08-12

  Methods for engineering transgenic organisms that synthesize polyhydroxyalkanoates (PHAs) containing 3-hydroxyhexanoate as comonomer have been developed. These processes are based on genetically engineered bacteria such as Escherichia coli or in plant crops as production systems which include PHA biosynthetic genes from PHA producers. In a preferred embodiment of the method, additional genes are introduced in wild type or transgenic polyhydroxybutyrate (PHB) producers, thereby creating new strains that synthesize 3HH monomers which are incorporated into PHAs. The 3HH monomer preferably is derived in microbial systems using butanol or butyrate as feedstocks, which are precursors of 3-hydroxyhexanoyl-CoA. Pathways for in vivo production of butyrol-CoA specifically encompassing butyryl-CoA dehydrogenase activity are provided.

  目前已开发出可合成以 3-hydroxyhexanoate 为单体的聚羟基烷酸酯（PHA）的转基因生物的工程方法。这些方法以基因工程细菌（如大肠杆菌）为基础，或以植物作物为生产系统，其中包括来自 PHA 生产者的 PHA 生物合成基因。在该方法的一个优选实施方案中，在野生型或转基因聚羟基丁酸（PHB）生产者中引入额外的基因，从而产生合成 3HH 单体的新菌株，这些单体被掺入 PHA 中。3HH 单体最好在以丁醇或丁酸为原料的微生物系统中产生，它们是 3-hydroxyhexanoyl-CoA 的前体。提供了体内生产丁酰-CoA 的途径，特别是包含丁酰-CoA 脱氢酶活性的途径。
• 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。
• MICROORGANISM CAPABLE OF PRODUCING IMPROVED POLYHYDROXYALKANOATE AND METHOD OF PRODUCING POLYHYDROXYALKANOATE BY USING THE SAME
  申请人：Kaneka Corporation

  公开号：EP2295536A1

  公开（公告）日：2011-03-16

  The present invention relates to a microorganism which is capable of producing a polyhydroxyalkanoate (PHA) and satisfies the requirements: (1) expression of a phbA gene is repressed or a catalytic activity of an enzyme encoded by the gene is repressed; (2) expression of a bktB gene is enhanced or a catalytic activity of an enzyme encoded by the gene is increased; and (3) a polyhydroxyalkanoate synthase gene and a crotonyl-CoA reductase gene are introduced thereinto. Culture of this microorganism enables efficient production of P(3HB-co-3HH), which is a PHA having excellent flexibility and being applied to a variety of applications, with an inexpensive carbon source.

  本发明涉及一种能够生产聚羟基烷酸（PHA）并满足以下要求的微生物：(1)抑制 phbA 基因的表达或抑制该基因编码的酶的催化活性；(2)增强 bktB 基因的表达或提高该基因编码的酶的催化活性；(3)引入多羟基烷酸合成酶基因和巴豆酰-CoA 还原酶基因。通过培养这种微生物，可以利用廉价的碳源高效生产 P(3HB-co-3HH)，这是一种具有极佳柔韧性的 PHA，可用于多种用途。
• HOST CELLS FOR PREPARING ADIPATE (ESTER OR THIOESTER)
  申请人：Genomatica, Inc.

  公开号：EP3346011A1

  公开（公告）日：2018-07-11

  This invention provides a host cell comprising nucleic acid sequences encoding an enzyme converting a 2,3-dehydroadipate ester or 2,3-dehydroadipate thioester into an adipate ester or thioester, an enzyme converting a 3-hydroxyadipate ester or 3-hydroxyadipate thioester into the 2,3-dehydroadipateester or 2,3-dehydroadipate thioester, an enzyme converting a 3-oxoadipate ester or 3-oxoadipate thioester into the 3-hydroxyadipate ester or thioester; and an enzyme reacting a succinate ester or succinate thioester with an acetate ester or acetate thioester and generating the 3-oxoadipate ester or 3-oxoadipate thioester.

  本发明提供了一种宿主细胞，其包含编码将 2,3-脱氢己二酸酯或 2,3-脱氢己二酸硫酯转化为己二酸酯或硫酯的酶的核酸序列、将 3-羟基己二酸酯或 3-羟基己二酸硫酯转化为 2,3-脱氢己二酸酯或 2,3-脱氢己二酸硫酯的酶， 将 3-氧代己二酸酯或 3-氧代己二酸硫酯转化为 3-羟基己二酸酯或硫酯的酶一种酶将琥珀酸酯或琥珀酸硫酯与乙酸酯或乙酸硫酯反应，生成 3-氧代己二酸酯或 3-氧代己二酸硫酯。