Phenethylamine glucuronide | 51643-42-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Phenethylamine glucuronide
• 英文别名: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethylamino)oxane-2-carboxylic acid
• CAS: 51643-42-6
• 化学式: C₁₄H₁₉NO₆
• 分子量: 297.3
• InChiKey: OYNLGXUYULDVEJ-IEECTRCBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.4
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  119
• 氢给体数：
  5
• 氢受体数：
  7

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.