十七酰辅酶A | 3546-17-6

• 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: 十七酰辅酶A
• 中文别名: 正十七碳酰辅酶A锂盐
• 英文名称: Heptadecanoyl-coa
• 英文别名: 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] heptadecanethioate
• CAS: 3546-17-6
• 化学式: C₃₈H₆₈N₇O₁₇P₃S
• 分子量: 1020.0
• InChiKey: DRABUZIHHACUPI-DUPKZGIXSA-N

物化性质

• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  66
• 可旋转键数：
  35
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

安全信息

• WGK Germany：
  3

文献信息

• [EN] IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS<br/>[FR] PERFECTIONNEMENTS APPORTÉS OU SE RAPPORTANT À DES COMPOSÉS ORGANIQUES
  申请人：GIVAUDAN SA

  公开号：WO2019238568A1

  公开（公告）日：2019-12-19

  Disclosed is a compound represented by formula (I). The half-doted double lines each represent a carbon-carbon single bond or a carbon-carbon double bond. The six-membered ring comprises exactly one endocyclic carbon-carbon double bond or exactly two endocyclic carbon-carbon double bonds. When the six-membered ring comprises exactly two endocyclic carbon-carbon double bonds, the endocyclic carbon-carbon double bonds are either in 1,3-relationship or in 1,4-relationship. R is selected from the group consisting of iso-propyl, iso-butyl, sec-butyl and tert-butyl.

  揭示了一种由式(I)表示的化合物。每个半虚线代表一个碳-碳单键或一个碳-碳双键。六元环中包含恰好一个内环碳-碳双键或恰好两个内环碳-碳双键。当六元环包含恰好两个内环碳-碳双键时，内环碳-碳双键可以是1,3-关系或1,4-关系。R从异丙基、异丁基、仲丁基和叔丁基组成的群体中选择。
• 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。
• System for screening fatty acid transport inhibitors, methods of use and modulators identified thereby
  申请人：——

  公开号：US20020182197A1

  公开（公告）日：2002-12-05

  Methods for identifying modulators of fatty acid transport and/or uptake, comprising contacting, under conditions favorable for fatty acid uptake, a putative modulator, e.g., an inhibitor with a system comprising genetic material encoding a fatty acid transport mediator (“TTM”), particularly FAA1, FAA2, FAA3, FAA4, FAT1, fadL, fadD, FATP, CD36 and FABP, or orthologs, homologs, isoforms, variants, analogs, derivatives or fragments thereof, and combinations thereof, or fatty acid transport mediator proteins (“TTMps”), e.g., Faa1p, Faa2p, Faa3p, Faa4p, Fat1p, FadL, fatty acyl CoA synthetase, FATP, CD36 and FABP, or orthologs, homologs, isoforms, variants, analogs, derivatives or fragments thereof, and combinations thereof, and determining the effect of the putative modulator. The test system may be a cell such as Saccharomyces cerevisiae, E. coli, H. sapiens, etc. or an in vitro system.

  鉴定脂肪酸转运和/或吸收调节剂的方法，包括在有利于脂肪酸吸收的条件下，将假定的调节剂，例如抑制剂与包含编码脂肪酸转运介质（"TTM"），特别是 FAA1、FAA2、FAA3、FAA4、FAT1、FAdL、FAdD、FATP、CD36 和 FABP，或其直系同源物、同源物、异构体、变异体、类似物、衍生物或片段及其组合，或脂肪酸转运介质蛋白（"TTMps"），如或脂肪酸转运介体蛋白（"TTMps"），如 FAa1p、FAa2p、FAa3p、FAa4p、FAt1p、FAdL、脂肪酰辅酶合成酶、FATP、CD36 和 FABP，或它们的直向同源物、同源物、异构体、变体、类似物、衍生物或片段，以及它们的组合，并确定推定调节剂的效果。测试系统可以是细胞，如 酵母、大肠杆菌、智人等、 等细胞或体外系统。
• PRODUCTION OF FATTY ALCOHOLS WITH FATTY ALCOHOL FORMING ACYL-COA REDUCTASES (FAR)
  申请人：Codexis, Inc.

  公开号：EP2449124B1

  公开（公告）日：2015-05-27
• IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS
  申请人：Givaudan SA

  公开号：EP3807241A1

  公开（公告）日：2021-04-21