辛酰葡糖苷酸 | 99910-55-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 辛酰葡糖苷酸
• 英文名称: Octanoylglucuronide
• 英文别名: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-octanoyloxyoxane-2-carboxylic acid
• CAS: 99910-55-1
• 化学式: C₁₄H₂₄O₈
• 分子量: 320.34
• InChiKey: ASFORWUCPCKFPY-BYNIDDHOSA-N

物化性质

• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  134
• 氢给体数：
  4
• 氢受体数：
  8

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.
• [EN] METHOD OF DIAGNOSING AND TREATMENT MONITORING OF CROHN'S DISEASE AND ULCERATIVE COLITIS<br/>[FR] MÉTHODE DE DIAGNOSTIC ET DE TRAITEMENT DE LA MALADIE DE CROHN ET DE LA RECTOCOLITE HÉMORRAGIQUE
  申请人：UNIV MCMASTER

  公开号：WO2021113989A1

  公开（公告）日：2021-06-17

  Methods of diagnosing Crohn's disease and ulcerative colitis in subjects is provided based on the determination of metabolites in urine samples, such as serine, hypoxanthine, kynurenine, threonine, dimethylglycine, tryptophan, indoxylsulfate, phenylacetylglutamine, sialic acid, 5-hydroxy-6-indolyl-o-sulfate, 5-(Δ-carboxybutyl) homocysteine, and/or an anion having m/z:RMT:polarity of 345.1553:0.770:n, or determination of metabolites in stool samples, such as ketodeoxycholic acid, cholic acid, choline, tryptophan, trimethyllysine, serine, butyric acid, lactic acid, hypoxanthine and/or guanine.