β-ketodecanoyl-CoA | 50411-91-1

• 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: β-ketodecanoyl-CoA
• 英文别名: 3-Oxodecanoyl-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-oxodecanethioate
• CAS: 50411-91-1
• 化学式: C₃₁H₅₂N₇O₁₈P₃S
• 分子量: 935.777
• InChiKey: AZCVXMAPLHSIKY-HSJNEKGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  60
• 可旋转键数：
  28
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  406
• 氢给体数：
  9
• 氢受体数：
  23

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  β-ketodecanoyl-CoA 在 水 作用下， 生成 3-氧代癸酸
  参考文献：
  名称：

  铜绿假单胞菌中2-烷基-4（1H）-喹诺酮类的生物合成：潜在致病性治疗干扰的潜力。

  摘要：

  定位群体感应：该假单胞菌喹诺酮信号（PQS）及其直接前体是HHQ在重要群体感应信号分子绿脓杆菌有助于这种细菌的致病性。使用重组PqsD蛋白进行的HHQ生物合成的体外重建，已经阐明了该酶及其底物，并导致了用于鉴定抑制剂的测试系统。

  DOI：

  10.1002/cbic.201100014

文献信息

• (3R)-HYDROXYACYL-ACP DEHYDRATASE ENZYMES USED IN THE BIOSYNTHESIS OF MYCOLIC ACIDS AND USE OF SAME FOR SCREENING ANTIBIOTICS
  申请人：Quemard Annaik

  公开号：US20100143940A1

  公开（公告）日：2010-06-10

  The invention relates to (3R)-hydroxyacyl-ACP dehydratase enzymes involved in the biosynthesis of mycolic acids, and to the use of same for screening antibiotics, medicaments that can be used to treat infections in humans or in animals, caused by Corynebacterineae , more specifically infections caused by pathogenic mycobacteria ( Mycobacterium tuberculosis, M. africanum, M. leprae, M. ulcerans, M. microti, M. bovis, M. abscissus, M. avium, M. fortuitum, M. kansasii . . . ), and infections caused by other genera such as Nocardia, Rhodococcus, Gordona . . .

  本发明涉及参与肌酸酰基载体脱水酶酶的生物合成的3R-羟基酰基-ACP脱水酶酶，以及将其用于筛选抗生素、治疗人类或动物感染的药物，这些感染是由科林氏杆菌科引起的，更具体地说是由致病性分枝杆菌（结核分枝杆菌、非洲结核分枝杆菌、麻风分枝杆菌、溃疡分枝杆菌、小鼠结核分枝杆菌、牛分枝杆菌、阿布西斯分枝杆菌、鸟分枝杆菌、偶然分枝杆菌、堪萨斯分枝杆菌等）和其他属（如诺卡氏菌、红球菌、戈多纳菌等）引起的感染。
• 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。
• Genetically modified cells that produce C6-C10 fatty acid derivatives
  申请人：CARGILL, INCORPORATED

  公开号：US11345938B2

  公开（公告）日：2022-05-31

  Genes encoding mutant 3-ketoacyl-CoA synthases are introduced into host cells. Certain of the mutants enhance the production of shorter-chain fatty acids and derivatives by the cell than do the wild-type (unmutated) enzymes. In other cases, the chain length is not significantly affected, but productivity is enhanced. In specific cases, both a shift toward lower chain length and higher productivity is seen. Cells producing the mutant 3-ketoacyl-CoA synthases are especially suitable for producing C6-C10 fatty acids and derivatives.

  将编码突变型 3-Ketoacyl-CoA 合成酶的基因导入宿主细胞。与野生型（未突变）酶相比，某些突变体能提高细胞产生短链脂肪酸和衍生物的能力。在其他情况下，链的长度没有受到明显影响，但生产率却得到了提高。在特定情况下，既会出现链长变短的情况，也会出现生产率提高的情况。产生突变型 3-Ketoacyl-CoA 合成酶的细胞尤其适合生产 C6-C10 脂肪酸及其衍生物。
• 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：EP2408927A1

  公开（公告）日：2012-01-25
• Metabolomics-Based Identification of Disease-Causing Agents
  申请人：Skolnick Jeffrey

  公开号：US20110246081A1

  公开（公告）日：2011-10-06

  A method, computer-readable medium, and system for identifying one or more metabolites associated with a disease, comprising: comparing gene expression data from diseased cells to gene expression data from control cells in order to deduce genes that are differentially-regulated in the diseased cells relative to the control cells; based on enzyme function and pathway data for all human metabolites that utilize the genes that are differentially-regulated in the disease cells, identifying one or more metabolites whose intracellular levels are higher or lower in diseased cells than in control cells, and thereby associating the one or more metabolites with the disease.