decanoylcarnitine | 3992-45-8

• 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: decanoylcarnitine
• 英文别名: o-decanoyl-L-carnitine；(3R)-3-decanoyloxy-4-(trimethylazaniumyl)butanoate
• CAS: 3992-45-8
• 化学式: C₁₇H₃₃NO₄
• 分子量: 315.453
• InChiKey: LZOSYCMHQXPBFU-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• WGK Germany：
  3
• 储存条件：
  存储条件：2-8°C，密封保存，置于干燥处。

制备方法与用途

癸酰-L-肉碱能够促进含有放射性标记的二十碳四烯酸([1-14C]-22:4(n-6))和二十碳五烯酸([1-14C]-22:5(n-3))的去饱和脂肪酸代谢产物形成。

反应信息

• 作为反应物：
  描述：

  decanoylcarnitine 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 decanoyl-L-carnitine oxylactone
  参考文献：
  名称：

  Characterization of acylcarnitines using fast atom bombardment mass spectrometry and gas chromatography/mass spectrometry

  摘要：

  报告了一系列合成酰基肉碱的质谱数据。采用快速原子轰击离子化技术结合高能碰撞激发和B/E连扫的直接质谱方法。数据显示，可以使用该技术区分异构化合物。报告了以酰氧乳酸酯衍生物形式的酰基肉碱的气相色谱/质谱分析数据。使用了电子轰击和化学电离两种模式，这使得各种化合物的特征和鉴定变得明确无误。鉴于最近酰基肉碱分析活动的显著增加，详细报告的质谱和气相色谱数据可能对参考目的有所帮助。

  DOI：

  10.1002/jms.1190300112
• 作为产物：
  描述：

  左旋肉碱 、 decanoyl-CoA(4-) 生成 coenzyme A 、 decanoylcarnitine
  参考文献：
  名称：

  肉碱棕榈酰转移酶2：对底物特异性及其对酰基肉碱谱分析的启示。

  摘要：

  近年来，酰基肉碱已成为诊断线粒体脂肪酸β-氧化（mFAO）和支链氨基酸氧化障碍的重要生物标志物，前提是它们反映了潜在的毒性酰基辅酶A物种，在线粒体内积累在酶嵌段的上游。但是，这些中间体的起源仍然知之甚少。肉碱航天飞机成员肉碱棕榈酰转移酶2（CPT2）可能参与了线粒体内由积累的酰基CoA代谢产物合成的酰基肉碱。为了解决这个问题，本文研究了CPT2的底物特异性概况。将表达人CPT2的啤酒酵母匀浆与饱和和不饱和的C2-C26酰基辅酶A和支链氨基酸氧化中间体孵育。通过ESI-MS / MS对产生的酰基肉碱进行定量。我们显示CPT2与中等（C8-C12）和长链（C14-C18）酰基辅酶A酯具有活性，而实际上未发现短链和长链酰基辅酶A或支链氨基具有活性酸氧化中间体。还发现反式-2-烯酰基-CoA中间体是CPT2的不良底物。进行的抑制研究表明，trans-2-C16：1-CoA可以作为CPT2的竞争性抑制剂（K（i）为18

  DOI：

  10.1016/j.bbadis.2010.06.002

文献信息

• [EN] NOVEL CRYSTALLINE FORMS<br/>[FR] NOUVELLES FORMES CRISTALLINES
  申请人：GRUENENTHAL CHEMIE

  公开号：WO2017195031A1

  公开（公告）日：2017-11-16

  Preparation and characterization of novel forms of (1-hydroxy-2-imidazol-1-yl-1-phosphono-ethyl) phosphonic acid, suitable for pharmaceutical compositions in drug delivery systems for humans.

  制备和表征新型(1-羟基-2-咪唑-1-基-1-膦酸乙基)膦酸，适用于人类药物输送系统中的药用组合物。
• Acyl carnitine esterase, production thereof and method for analyzing acyl carnitines
  申请人：ASAHI KASEI KOGYO KABUSHIKI KAISHA

  公开号：EP0480676A2

  公开（公告）日：1992-04-15

  An acylcarnitine esterase which has a substrate specificity to acyl-L-carnitines including short chain acyl-L-carnitines inclusive of acetyl-L-carnitine and propionyl-L-carnitine and which catalyzes the hydrolysis reaction of one mole of the acyl-L-carnitines with one mole of water to form one mole of the corresponding fatty acid and one mole of L-carnitine.

  一种酰基肉碱酯酶，它对酰基-L-肉碱（包括乙酰基-L-肉碱和丙酰基-L-肉碱在内的短链酰基-L-肉碱）具有底物特异性，可催化一摩尔酰基-L-肉碱与一摩尔水的水解反应，生成一摩尔相应的脂肪酸和一摩尔 L-肉碱。
• 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。
• APPARATUS FOR DIAGNOSING SOLID CANCERS AND METHOD FOR PROVIDING INFORMATION ON SOLID CANCER DIAGNOSIS
  申请人：Innobation Bio Co., Ltd.

  公开号：EP4027139A2

  公开（公告）日：2022-07-13

  The present invention relates to an apparatus for diagnosing solid cancers comprising lung cancer, pancreatic cancer, bile duct cancer, colorectal cancer, breast cancer, gastric cancer, brain tumors, kidney cancer, liver cancer, and cervical cancer. More specifically, the apparatus comprises: a concentration measurement unit for measuring the concentration of each of acyl-carnitine (AC), nudifloramide (2PY), and lysophosphatidylcholine (LPC) from a biological sample; a pre-processing unit for pre-processing the measured concentrations; and a diagnosis unit for determining the diagnosis information of cancer through linear discriminant analysis using the pre-processed concentrations.

  本发明涉及一种诊断实体癌的仪器，包括肺癌、胰腺癌、胆管癌、结直肠癌、乳腺癌、胃癌、脑肿瘤、肾癌、肝癌和宫颈癌。更具体地说，该装置包括：浓度测量单元，用于测量生物样本中酰基肉碱（AC）、裸花胺（2PY）和溶血磷脂酰胆碱（LPC）各自的浓度；预处理单元，用于对测量的浓度进行预处理；以及诊断单元，用于使用预处理的浓度通过线性判别分析确定癌症诊断信息。
• Detection method for quaternary ammonium compound having γ-carboxyl group
  申请人：Kaohsiung Medical University

  公开号：US10703969B2

  公开（公告）日：2020-07-07

  A detection method for a quaternary ammonium compound having a γ-carboxyl group includes: mixing a sample including the quaternary ammonium compound having the γ-carboxyl group, a fluorescent compound having a fluorophore and a polar aprotic solvent to form a reaction solution. A SN2 nucleophilic substitution reaction is performed between the fluorophore of the fluorescent compound and the γ-carboxyl group of the quaternary ammonium compound to obtain a derivation solution including a derivative which is a quaternary ammonium compound with the γ-carboxyl group substituted with the fluorophore of the fluorescent compound. An extractant and a cosolvent are added to the derivation solution to form a water-in-oil emulsion which disperses in the derivation solution, followed by extracting the derivative from the derivation solution by the extractant to obtain an analytic solution, wherein a polarity of the extractant is higher than a polarity of the polar aprotic solvent. The derivative in the analytic solution is detected; and therefore, the quaternary ammonium compound having the γ-carboxyl group in the sample can be easily detected by reverse-phase liquid chromatography, fluorescence spectrometry or mass spectrometry.

  一种具有γ-羧基的季铵盐化合物的检测方法包括：将包括具有γ-羧基的季铵盐化合物的样品、具有荧光团的荧光化合物和极性钝化溶剂混合形成反应溶液。在荧光化合物的荧光团和季铵盐化合物的γ-羧基之间进行 SN2 亲核取代反应，以获得衍生物溶液，其中包括一种衍生物，该衍生物是γ-羧基被荧光化合物的荧光团取代的季铵盐化合物。在衍生溶液中加入萃取剂和共溶剂，形成油包水型乳液，分散在衍生溶液中，然后用萃取剂从衍生溶液中萃取衍生物，得到分析溶液，其中萃取剂的极性高于极性钝化溶剂的极性。分析溶液中的衍生物可被检测出来；因此，样品中具有γ-羧基的季铵化合物可以很容易地通过反相液相色谱法、荧光光谱法或质谱法检测出来。