(3-Hydroxy-heptadecanoylamino)-acetic acid

• 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
• 英文名称: (3-Hydroxy-heptadecanoylamino)-acetic acid
• 英文别名: Putative (3-hydroxyheptadecanoyl)glycine；2-(3-hydroxyheptadecanoylamino)acetic acid
• 化学式: C₁₉H₃₇NO₄
• 分子量: 343.507
• InChiKey: IEWHONSDBIATGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  benzyl N-(3-hydroxy-heptadecanoyl)glycine 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (3-Hydroxy-heptadecanoylamino)-acetic acid
  参考文献：
  名称：

  N-Type Calcium Channel Blockers from a Marine Bacterium, Cytophaga sp. SANK 71996.

  摘要：

  从海洋细菌 Cytophaga sp. SANK 71996 中分离出 N-(3-乙酰氧基酰基)甘氨酸作为 N 型钙通道阻滞剂。文中介绍了生产菌株的鉴定和发酵过程，通过光谱分析和化学合成鉴定了 N-(3-乙酰氧基酰基)甘氨酸的结构特征及其拮抗活性。

  DOI：

  10.7164/antibiotics.50.457

文献信息

• MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES
  申请人：Metabolon, Inc.

  公开号：US20220221433A1

  公开（公告）日：2022-07-14

  A method for determining in a sample, by liquid chromatography/mass spectrometry, the presence, absence, or amount of one or more or a plurality of analytes is described. The method comprises subjecting the sample to an ionization source under conditions suitable to produce one or more ions detectable by mass spectrometry from each of the one or more of the analytes; measuring, by liquid chromatography/mass spectrometry, the amount of the one or more ions from each of the one or more analytes; and using the measured amount of the one or more ions to determine the presence, absence, or amount of each of the one or more or plurality of analytes in the sample.
• [EN] MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES<br/>[FR] PROCÉDÉS DE DOSAGE PAR SPECTROMÉTRIE DE MASSE POUR LA DÉTECTION DE MÉTABOLITES
  申请人：METABOLON INC

  公开号：WO2020242744A1

  公开（公告）日：2020-12-03

  A method for determining in a sample, by liquid chromatography/mass spectrometry, the presence, absence, or amount of one or more or a plurality of analytes selected. The method comprises subjecting the sample to an ionization source under conditions suitable to produce one or more ions detectable by mass spectrometry from each of the one or more of the analytes; measuring, by liquid chromatography/mass spectrometry, the amount of the one or more ions from each of the one or more analytes; and using the measured amount of the one or more ions to determine the presence, absence, or amount of each of the one or more or plurality of analytes in the sample.