(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid | 6217-54-5

• 物质功能分类: 分析化学 - 标准品 - 临床标准品
• 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,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
• CAS: 6217-54-5
• 化学式: C₂₂H₃₂O₂
• 分子量: 328.5
• InChiKey: MBMBGCFOFBJSGT-NIQHLCGCSA-N

物化性质

• 熔点：
  -44°C
• 沸点：
  446.7±24.0 °C(Predicted)
• 密度：
  0.943±0.06 g/cm3(Predicted)
• 闪点：
  62°C
• 溶解度：
  氯仿（少量溶解）、乙酸乙酯（少量溶解）、甲醇（少量、加热、超声处理）
• LogP：
  6.778 (est)

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

安全信息

• 安全说明：
  S23,S24/25
• WGK Germany：
  3
• 海关编码：
  2106909090
• 危险品运输编号：
  NA 1993 / PGIII
• 危险标志：
  GHS02,GHS07
• 危险性描述：
  H225,H319
• 危险性防范说明：
  P210,P305 + P351 + P338,P370 + P378,P403 + P235

制备方法与用途

二十二碳六烯酸（DHA） 简介

二十二碳六烯酸（DHA）是一种不饱和脂肪酸。由于人类体内无法自行合成，必须通过食物摄取，它是必不可少的营养成分之一。DHA 对脑和神经组织的发育及功能维持至关重要，广泛存在于人体内的脑细胞中。

性状

• 外观：无色至淡黄色透明液体。
• 性质：纯味无臭、无味。由 n3 系列多不饱和脂肪酸组成。

用途 营养强化剂

DHA 主要用于食品营养强化，以促进婴幼儿的脑部发育和增强记忆力。它也是人脑神经系统的组成部分之一，在大脑组织中的含量约为15%，在视网膜的视觉杆状细胞中则高达60% 的 DHA 磷脂分子。

使用限量与标准 GB 2760--2002

• 婴儿配方奶粉：0.4～1.8 g/kg（来自双鞭甲藻及金枪鱼油）
• 孕产妇奶粉：0.3～0.5 g/kg（来自金枪鱼油）
• 幼儿配方奶粉：占总脂肪酸的 0.09%～0.15%
• 较大婴儿及幼儿配方食品、学龄前儿童谷类食品和婴幼儿断奶期食品等，DHA 最大允许使用量为 115 mg/100g

详细标准

添加剂中文名称	允许使用该种添加剂的食品中文名称	添加剂功能	最大允许使用量（g/kg）
二十二碳六烯酸（DHA）	婴幼儿断奶期食品	营养强化剂	115 mg/100g
	学龄前儿童谷类食品	营养强化剂	≤0.5%
	儿童配方奶粉	营养强化剂	≤0.5%
	较大婴儿及幼儿配方食品	营养强化剂	≤0.5%
	婴儿配方食品	营养强化剂	≤0.5%

DHA 的作用不仅限于婴幼儿，它同样有助于预防老年人的脑部萎缩和老化。由于 DHA 在大脑神经细胞间传递信号的作用，相关的记忆、思维功能依赖于其维持和提高。

母乳中 DHA 和 EPA 的比例为 4:1，这种配比最有利于 DHA 的水解、吸收和利用效果。

文献信息

• Bis-Platinum Complexes With Antitumor Activity
  申请人：Bernareggi Alberto

  公开号：US20100292322A1

  公开（公告）日：2010-11-18

  A compound of general formula (I): in which: R is selected from the group consisting of (C 1 -C 25 )alkyl, (C 2 -C 25 )alkenyl, aryl, (C 7 -C 10 )aralkyl; n and m are each independently an integer of two to eight; p is one or two; A is selected from the group consisting of —B—, —B—(CH 2 ) r —B—, —B—(CH 2 ) r —B—(CH 2 ) z —B—, wherein r and z are an integer from 2 to 8 , B is a —NR 1 — or —N(R 2 ) 2 + 1 /pQ −p group, in which R1 is selected from hydrogen, (C 1 -C 4 )alkyl, (C 1 -C 4 )acyl, tert-butoxycarbonyl, and R 2 is selected from hydrogen and (C 1 -C 4 )alkyl; Q −p is an anion selected from chloride, bromide, iodide, nitrate, sulphate, hydrogen sulphate, perchlorate, R 3 COO − wherein R 3 has the same meanings as R, independently from one another and R 4 —O—SO 3 − wherein R 4 is (C 2 -C 14 )alkyl with the proviso that, when Q −p is selected from chloride, bromide, iodide, nitrate, sulphate, hydrogen sulphate, perchlorate, R is not (C 1 -C 4 )alkyl.

  一个通式（I）的化合物：其中：R选自（C1-C25）烷基，（C2-C25）烯烃，芳基，（C7-C10）芳基烷基的群组；n和m分别独立地为2到8的整数；p为1或2；A选自—B—，—B—（CH2）r—B—，—B—（ ）r—B—（ ）z—B—的群组，其中r和z为2到8的整数，B为—NR1—或—N(R2)2+1/pQ−p群，其中R1选自氢，（C1-C4）烷基，（C1-C4）酰基，叔丁氧羰基，R2选自氢和（C1-C4）烷基；Q−p选自氯化物，溴化物，碘化物，硝酸盐，硫酸盐，氢硫酸盐，高氯酸盐，R3COO−其中R3与R具有相同的含义，独立地为R4—O—SO3−其中R4为（C2-C14）烷基，但当Q−p选自氯化物，溴化物，碘化物，硝酸盐，硫酸盐，氢硫酸盐，高氯酸盐时，R不是（C1-C4）烷基。
• FATTY ACID FUMARATE DERIVATIVES AND THEIR USES
  申请人：Catabasis Pharmaceuticals, Inc.

  公开号：US20150238618A1

  公开（公告）日：2015-08-27

  The invention relates to Fatty Acid Fumarate Derivatives; compositions comprising an effective amount of a Fatty Acid Fumarate Derivative; and methods for treating or preventing cancer, a metabolic disorder or neurodegenerative disorder comprising the administration of an effective amount of a Fatty Acid Fumarate Derivative.

  本发明涉及脂肪酸富马酸衍生物；包含有效量脂肪酸富马酸衍生物的组合物；以及治疗或预防癌症、代谢紊乱或神经退行性疾病的方法，包括给予有效量脂肪酸富马酸衍生物。
• 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。
• ALPHA-SUBSTITUTED OMEGA-3 LIPIDS THAT ARE ACTIVATORS OR MODULATORS OF THE PEROXISOME PROLIFERATORS-ACTIVATED RECEPTOR (PPAR)
  申请人：Bryhn Morten

  公开号：US20100035990A1

  公开（公告）日：2010-02-11

  Omega-3 lipid compounds of the general formula (I): wherein R 1 and R 2 are the same or different and may be selected from a group of substituents consisting of hydrogen, a hydroxy group, an alkyl group, a halogen atom, an alkoxy group, an acyloxy group, an acyl group, an alkenyl group, an alkynyl group, an aryl group, an alkylthio group, an alkoxycarbonyl group, a carboxy group, an alkylsulfinyl group, an alkylsulfonyl group, an amino group, and an alkylamino group; X represents a carboxylic acid or a derivative thereof, a carboxylate, a carboxylic anhydride or a carboxamide; and Y is a C 6 to C 22 alkene with two or more double bonds, having E and/or Z configuration, are disclosed. Also disclosed are pharmaceutical compositions and lipid compositions comprising such compounds, and to such compounds for use as medicaments in particular for the treatment of cardiovascular and metabolic diseases.