1,2,4-trihydroxynonadecane | 208407-22-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1,2,4-trihydroxynonadecane
• 英文别名: 1,2,4-nonadecanetriol；nonadecane-1,2,4-triol
• CAS: 208407-22-1
• 化学式: C₁₉H₄₀O₃
• 分子量: 316.525
• InChiKey: BADVLZPPYIABDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  22
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2,4-trihydroxynonadecane 在 sodium chlorite 、 sodium periodate 、 potassium dihydrogenphosphate 作用下， 生成 外消旋-3-羟基十八烷酸
  参考文献：
  名称：

  Syntheses and biological evaluation of novel pseudomycin side-chain analogues. Part 2

  摘要：

  A series of aliphatic side-chain analogues of pseudomycin was synthesized and evaluated during the course of our sidechain SAR effort. We found that several of the pseudomycin side-chain analogues (e.g., 10) exhibited good in vitro activity against all three major fungi responsible for systemic fungal infections. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00424-8
• 作为产物：
  描述：

  十六醛 在 四氧化锇 、 N-甲基吲哚酮 、 四氯化钛 作用下， 生成 1,2,4-trihydroxynonadecane
  参考文献：
  名称：

  Syntheses and biological evaluation of novel pseudomycin side-chain analogues. Part 2

  摘要：

  A series of aliphatic side-chain analogues of pseudomycin was synthesized and evaluated during the course of our sidechain SAR effort. We found that several of the pseudomycin side-chain analogues (e.g., 10) exhibited good in vitro activity against all three major fungi responsible for systemic fungal infections. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00424-8

文献信息

• Systems, apparatus, and methods for analyzing and predicting cellular pathways
  申请人：Massachusetts Institute of Technology

  公开号：US10446259B2

  公开（公告）日：2019-10-15

  Integrative analysis of metabolites is essential to obtain a comprehensive view of dysregulated biological pathways leading to a disease. Despite the great potential of metabolites their system level analysis has been limited. Global measurements of the metabolites by liquid chromatography-mass spectrometry (MS) detects metabolites features changing in a disease. However, identification of each feature is a bottleneck in metabolomics, in which a fraction of them are identified via tandem MS. Consequently, the scarcity of these data add additional barriers to decipher their biological meaning, especially in relation to other 'omic data such as proteomics. To address these challenges, a novel network-based approach called PIUMet is described. PIUMet infers dysregulated pathways and components from the differential metabolite features between control and disease systems without the need for the prior identification. The application of PIUMet is demonstrated by integrative analysis of untargeted lipid profiling data of a cell line model of Huntington's disease. The results show that PIUMet inferred dysregulation of sphingolipid metabolism in the disease cells. Additionally, PIUMet identified disease-modifying metabolite in the pathway that remained undetected experimentally. Furthermore, the lipidomic data of these cell lines was integrated with global phospho-proteomic ones. Integrative analysis of these data using PIUMet was shown to systematically lead to identifying dysregulated proteins in the disease cells that cannot be distinguished with individual analysis of each dataset.

  代谢物的综合分析对于全面了解导致疾病的失调生物通路至关重要。尽管代谢物具有巨大的潜力，但其系统级分析一直受到限制。通过液相色谱-质谱法（MS）对代谢物进行全面测量，可以检测出疾病中代谢物的变化特征。然而，每个特征的鉴定是代谢组学的一个瓶颈，其中只有一小部分是通过串联质谱鉴定的。因此，这些数据的稀缺性为解读其生物学意义增加了额外的障碍，特别是与蛋白质组学等其他 "omic "数据相比。为了应对这些挑战，本文介绍了一种名为 PIUMet 的基于网络的新方法。PIUMet 可从对照组和疾病组之间不同的代谢物特征中推断出失调的通路和成分，而无需事先进行识别。通过综合分析亨廷顿氏病细胞系模型的非靶向脂质分析数据，展示了 PIUMet 的应用。结果表明，PIUMet 可以推断疾病细胞中的鞘脂代谢失调。此外，PIUMet 还在通路中发现了实验未检测到的可改变疾病的代谢物。此外，这些细胞系的脂质组数据还与全局磷蛋白组数据进行了整合。结果表明，使用 PIUMet 对这些数据进行整合分析，可以系统地识别出疾病细胞中的失调蛋白质，而这些蛋白质是无法通过对每个数据集的单独分析来区分的。
• UTILISATION DE NOYAU D'AVOCAT POUR OBTENIR UNE HUILE D'AVOCAT ENRICHIE EN ALKYLS POLYOLS ET/OU EN LEURS DÉRIVÉS ACÉTYLÉS
  申请人：Laboratoires Expanscience

  公开号：EP2802335A1

  公开（公告）日：2014-11-19
• USE OF AVOCADO PIT FOR OBTAINING AN AVOCADO OIL ENRICHED WITH ALKYL POLYOLS AND/OR ACETYLATED DERIVATIVES THEREOF
  申请人：LABORATORIES EXPANSCIENCE

  公开号：US20140348967A1

  公开（公告）日：2014-11-27

  The present invention relates to the use of avocado seeds in order to obtain avocado oil enriched in alkyl polyols and/or acetylated derivatives thereof, said avocado seeds accounting for 10 to 50% by weight relative to the total weight of avocado used. The invention also relates to a method for obtaining avocado oil enriched in alkyl polyols or acetylated derivatives thereof from at least avocado seeds, said avocado seeds accounting for 10 to 50% by weight relative to the total weight of avocado used. The invention also relates to avocado oil enriched in alkyl polyols and/or acetylated derivatives thereof, obtainable by the present method. The invention also relates to the use of avocado oil in order to prepare an avocado oil concentrate enriched in alkyl polyols and/or acetylated derivatives thereof, or to prepare an avocado unsaponifiable enriched in alkyl polyols. Lastly, the invention relates to an avocado unsaponifiable enriched in alkyl polyols or an avocado oil concentrate enriched in alkyl polyols and/or acetylated derivatives thereof, obtainable from said avocado oil, for use as a drug, advantageously in the prevention and/or treatment of conjunctive tissue disorders such as arthrosis, articular pathologies such as rheumatism, or periodontal diseases such as gingivitis or periodontitis.
• SYSTEMS, APPARATUS, AND METHODS FOR ANALYZING AND PREDICTING CELLULAR PATHWAYS
  申请人：Pirhaji Leila

  公开号：US20170046476A1

  公开（公告）日：2017-02-16

  Integrative analysis of metabolites is essential to obtain a comprehensive view of dysregulated biological pathways leading to a disease. Despite the great potential of metabolites their system level analysis has been limited. Global measurements of the metabolites by liquid chromatography-mass spectrometry (MS) detects metabolites features changing in a disease. However, identification of each feature is a bottleneck in metabolomics, in which a fraction of them are identified via tandem MS. Consequently, the scarcity of these data add additional barriers to decipher their biological meaning, especially in relation to other 'omic data such as proteomics. To address these challenges, a novel network-based approach called PIUMet is described. PIUMet infers dysregulated pathways and components from the differential metabolite features between control and disease systems without the need for the prior identification. The application of PIUMet is demonstrated by integrative analysis of untargeted lipid profiling data of a cell line model of Huntington's disease. The results show that PIUMet inferred dysregulation of sphingolipid metabolism in the disease cells. Additionally, PIUMet identified disease-modifying metabolite in the pathway that remained undetected experimentally. Furthermore, the lipidomic data of these cell lines was integrated with global phospho-proteomic ones. Integrative analysis of these data using PIUMet was shown to systematically lead to identifying dysregulated proteins in the disease cells that cannot be distinguished with individual analysis of each dataset.
• US9416333B2
  申请人：——

  公开号：US9416333B2

  公开（公告）日：2016-08-16