2-氨基-3-[[2-(羧甲基)-2,5-二羟基-1-环己-3烯基]硫基]丙酸 | 63224-90-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氨基-3-[[2-(羧甲基)-2,5-二羟基-1-环己-3烯基]硫基]丙酸
• 英文名称: Hawkinsin
• 英文别名: 2-amino-3-[2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanylpropanoic acid
• CAS: 63224-90-8
• 化学式: C₁₁H₁₇NO₆S
• 分子量: 291.32
• InChiKey: SPXVLTDISXZSFM-UHFFFAOYSA-N

物化性质

• 溶解度：
  甲醇（微溶）、水（微溶）
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  166
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• NOVEL METHODS AND KITS FOR DETECTING OF UREA CYCLE DISORDERS USING MASS SPECTROMETRY
  申请人：Labsystems Diagnostics Oy

  公开号：EP3139171A1

  公开（公告）日：2017-03-08

  The present invention relates to methods and kits for high throughput screening and analysis of metabolic disorders using liquid chromatography mass spectrometry (LC-MS) are provided. The metabolic disorders can be amino acid, organic acid or fatty acid oxidation disorders, and particularly urea cycle disorders or defiencies, hyperammoneamia, Hyperornithinemia-hyperammonenia-homocitrullinuria (HHH), and/or argininosuccinic aciduria. The methods and kits are particularly useful for newborn screening (NBS) of metabolic disorders.

  本发明涉及利用液相色谱质谱法（LC-MS）高通量筛选和分析代谢紊乱的方法和试剂盒。代谢紊乱可以是氨基酸、有机酸或脂肪酸氧化紊乱，特别是尿素循环紊乱或缺陷、高氨甲酰尿症、高鸟氨酸血症-高氨甲酰尿症-高同谷氨酸尿症（HHH）和/或精氨酸琥珀酸尿症。这些方法和试剂盒尤其适用于新生儿代谢紊乱筛查（NBS）。
• Aptamer methods and compositions
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US10155940B2

  公开（公告）日：2018-12-18

  Methods of selecting an aptamer that specifically binds to a target molecule complexed with a derivatization agent. Also disclosed are specific aptamers and methods of use thereof.

  选择能特异性结合与衍生化剂复合的目标分子的适配体的方法。还公开了特异性适配体及其使用方法。
• Analysis of amino acids in body fluid by liquid chromotography-mass spectrometry
  申请人：Quest Diagnostics Investment Inc.

  公开号：US10175208B2

  公开（公告）日：2019-01-08

  This disclosure provides methods for quantifying individual amino acids in various bodily fluids obtained from a human patient. Also provided are reference ranges for normal amino acid levels in the various bodily fluids (e.g., blood plasma, urine, cerebrospinal fluid, and saliva) and for various age groups (e.g., neonates, infants, children, and adults).

  本公开提供了对从人类患者身上获取的各种体液中的单个氨基酸进行定量的方法。此外，还提供了各种体液（如血浆、尿液、脑脊液和唾液）和不同年龄组（如新生儿、婴儿、儿童和成人）中正常氨基酸水平的参考范围。
• ANALYSIS OF AMINO ACIDS IN BODY FLUID BY LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY
  申请人：Quest Diagnostics Investments Incorporated

  公开号：EP2179282A1

  公开（公告）日：2010-04-28
• ANALYSIS OF AMINO ACIDS IN BODY FLUID BY LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY (LC-MS)
  申请人：Quest Diagnostics Investments Incorporated

  公开号：EP3067692B1

  公开（公告）日：2019-04-17