(4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid

• 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: (4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
• 化学式: C₂₂H₃₂O₂
• 分子量: 328.5
• InChiKey: MBMBGCFOFBJSGT-CHRIZAQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  24
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF
  申请人：MedWell Laboratories Ltd.

  公开号：US20160120995A1

  公开（公告）日：2016-05-05

  Novel chemical conjugates derived from unsaturated fatty acids and therapeutically active agents, are disclosed. The chemical conjugates are designed and characterized as COX-2 and/or 5-LOX inhibitors and are useful in the treatment of inflammatory diseases, dermatitis and disorders such as Alzheimer's disease, Parkinson's disease, asthma, osteoarthritis, rheumatoid arthritis, pain, primary dysmenorrhea, Crohn's disease and ulcerative colitis.

  本发明揭示了从不饱和脂肪酸和治疗活性剂衍生的新型化学共轭物。这些化学共轭物被设计和表征为COX-2和/或5-LOX抑制剂，并可用于治疗炎症性疾病、皮炎和阿尔茨海默病、帕金森病、哮喘、骨关节炎、类风湿性关节炎、疼痛、原发性痛经、克罗恩病和溃疡性结肠炎等疾病。
• Method for normalization in metabolomics analysis methods with endogenous reference metabolites
  申请人：BIOCRATES Life Sciences AG

  公开号：EP2270699A1

  公开（公告）日：2011-01-05

  The present invention relates to the use of endogenous reference metabolites and a method for normalization of intensity data corresponding to amounts and/or concentrations of selected target metabolites in a biological sample of a mammalian subject, wherein said intensity data are obtained by a metabolomics analysis method with one or a plurality of endogenous reference metabolites, comprising carrying out at least one in vitro metabolomics analysis method of said selected target metabolites in said biological sample, simultaneously carrying out in the same sample a quantitative analysis of one or a plurality of endogenous reference metabolites or derivatives thereof, wherein said endogenous reference metabolites are such compounds in the biological sample which are present in the subject at an essentially constant level; and wherein said endogenous reference metabolites or derivatives thereof have a molecular mass less than 1500 Da.

  本发明涉及内源参比代谢物的使用以及对哺乳动物受试者生物样本中选定目标代谢物的量和/或浓度对应的强度数据进行归一化的方法，其中所述强度数据是通过一种或多种内源参比代谢物的代谢组学分析方法获得的、包括对所述生物样本中的所述选定目标代谢物进行至少一种体外代谢组学分析方法，同时对同一样本中的一种或多种内源性参考代谢物或其衍生物进行定量分析，其中所述内源性参考代谢物是生物样本中的化合物，它们以基本恒定的水平存在于受试者体内；所述内源性参考代谢物或其衍生物的分子质量小于 1500 Da。
• MICROBIAL OIL, METHOD FOR MANUFACTURING MICROBIAL OIL, CONCENTRATED MICROBIAL OIL, AND METHOD FOR MANUFACTURING CONCENTRATED MICROBIAL OIL
  申请人：Nippon Suisan Kaisha, Ltd.

  公开号：EP3101138A1

  公开（公告）日：2016-12-07

  A microbial oil comprising: a specific amount of at least one polyunsaturated fatty acid having at least 20 carbon atoms in fatty acid alkyl ester form and/or in free fatty acid form; and specific amount of thermally-produced fatty acid having from 16 to 22 carbon atoms in a fatty acid alkyl ester form and/or a free fatty acid form. A production method thereof comprising: providing a starting oil containing at least one polyunsaturated fatty acid having at least 20 carbon atoms in an alkyl ester form and/or a free fatty acid form obtained from microbial biomass; performing a rectification of the starting oil under specific conditions; and obtaining the aforementioned microbial oil. A concentrated microbial oil obtained using the production method described above, and a production method thereof. An agent for treating or preventing an inflammatory disease comprising the microbial oil or the concentrated microbial oil.

  一种微生物油，包含：一定量的以脂肪酸烷基酯形式和/或以游离脂肪酸形式存在的至少一种多不饱和脂肪酸，其碳原子数至少为 20；以及一定量的以脂肪酸烷基酯形式和/或以游离脂肪酸形式存在的热产脂肪酸，其碳原子数为 16 至 22。一种生产方法，包括：提供含有至少一种多不饱和脂肪酸的起始油，该脂肪酸以烷基酯和/或游离脂肪酸的形式至少具有 20 个碳原子，该脂肪酸从微生物生物质中获得；在特定条件下对起始油进行精馏；获得上述微生物油。利用上述生产方法获得的浓缩微生物油及其生产方法。一种用于治疗或预防炎症性疾病的制剂，包含上述微生物油或浓缩微生物油。
• MICROBIAL OIL, PRODUCTION METHOD FOR MICROBIAL OIL, CONCENTRATED MICROBIAL OIL, AND PRODUCTION METHOD FOR CONCENTRATED MICROBIAL OIL
  申请人：NIPPON SUISAN KAISHA, LTD.

  公开号：EP3900543A1

  公开（公告）日：2021-10-27

  A microbial oil comprises dihomo-γ-linolenic acid in fatty acid alkyl ester form and/or in free fatty acid form at a content of at least 50% by weight of the total weight of fatty acids in the oil. The content of thermally-produced fatty acid having from 16 to 22 carbon atoms, generated by heat associated with distillation in the production method, is from 0.0001% by weight to 3.0% by weight of the total weight of fatty acids in the microbial oil. A production method thereof comprises providing a starting oil containing dihomo-γ-linolenic acid in alkyl ester form and/or a free fatty acid form, obtained from microbial biomass; performing rectification of the starting oil under specific conditions; and obtaining the aforementioned microbial oil. Other aspects are a concentrated microbial oil, and use of the described oils as an agent for treating or preventing inflammatory disease.

  一种微生物油包含脂肪酸烷基酯形式和/或游离脂肪酸形式的二氢-γ-亚麻酸，其含量至少占油中脂肪酸总重量的 50%（按重量计）。在生产方法中，通过蒸馏产生的热量产生的具有 16 至 22 个碳原子的脂肪酸的含量占微生物油中脂肪酸总重量的 0.0001%（按重量计）至 3.0%（按重量计）。其生产方法包括提供从微生物生物质中获得的含有烷基酯形式和/或游离脂肪酸形式的二氢-γ-亚麻酸的起始油；在特定条件下对起始油进行精馏；获得上述微生物油。其他方面是浓缩微生物油，以及将所述油用作治疗或预防炎症疾病的制剂。
• Diagnosis and treatment of neonatal encephalopathy
  申请人：InfanDx AG

  公开号：US10514383B2

  公开（公告）日：2019-12-24

  Metabolites and signatures (panels) of metabolites are applicable as biomarkers in clinical diagnosis, in particular for neonatal encephalopathy. They are useful tools in differential clinical diagnosis for early detection of brain injury, determination of brain areas affected by the insults and prediction of adverse neurological outcome and may also be applied in diagnosing disease progression and treatment effect. An in vitro method for predicting the likelihood of neonatal encephalopathy of distinct brain areas, identification of affected brain area(s) of neonatal encephalopathy and risk of brain damage and prognosis and neurological outcome due to identification of the type and extent of damage of distinct brain tissues, in particular of hippocampus and/or basal ganglia, is provided.

  代谢物和代谢物特征（组）可作为生物标记物用于临床诊断，尤其是新生儿脑病的诊断。它们是临床鉴别诊断的有用工具，可用于早期发现脑损伤、确定受损伤影响的脑区和预测不良神经系统结果，还可用于诊断疾病进展和治疗效果。本研究提供了一种体外方法，用于预测不同脑区发生新生儿脑病的可能性、确定新生儿脑病的受影响脑区、脑损伤风险以及由于确定不同脑组织（特别是海马和/或基底节）的损伤类型和程度而导致的预后和神经系统结局。