5-(4-羟基-4-氧代-1-三甲基铵基丁烷-2-基)氧基-3-甲基-5-氧代戊酸酯 | 102673-95-0

• 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: 5-(4-羟基-4-氧代-1-三甲基铵基丁烷-2-基)氧基-3-甲基-5-氧代戊酸酯
• 英文名称: 3-Methylglutarylcarnitine
• 英文别名: 3-(4-carboxy-3-methylbutanoyl)oxy-4-(trimethylazaniumyl)butanoate
• CAS: 102673-95-0
• 化学式: C13H23NO6
• 分子量: 289.32
• InChiKey: HFCPFJNSBPQJDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS)
  申请人：Oregon Institute of Science and Medicine

  公开号：US20190391092A1

  公开（公告）日：2019-12-26

  A method for constructing a metabolic profile of a mammalian (such as a human) subject from one of more urine samples from the subject uses magnetic resonance mass spectrometry (MRMS) for the rapid and inexpensive quantitative measurement of at least 4,000 urinary chemical substances in a single analysis. The method for metabolic profiling measures thousands of urinary substances in a urine sample from a mammalian subject in a single assay. Many of these substances can be of mammalian metabolic origin. The measurements of types and amounts of urinary substances can be correlated to assessments of present or future health of the subject.
• Detection and Quantitation Method for Proteomics of Post-Translational Modifications
  申请人：Sichuan University

  公开号：US20200033361A1

  公开（公告）日：2020-01-30

  The present disclosure relates to the technical field of comparative proteomics, in particular to a detection and quantitation method for proteomics of post-translational modifications. With this method, the protein samples to be studied and internal standards are labeled with isobaric tandem mass tags, and tandem mass spectrometry analysis is carried out for the labeled peptide mixture, wherein the internal standard is a peptide mixture rich in post-translational modifications to be detected. Through this method, the signal of peptides containing the post-translational modifications to be detected can be amplified under the situation that mass spectrometer sensitivity is unchanged, and enrichment of the post-translational modification peptides is not needed. The probability of detecting the peptides containing the post-translational modifications to be detected by mass spectrometer and being selected for subsequent MS/MS analysis is increased.