glycerol 1,3-distearate 2-oleate | 2846-04-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: glycerol 1,3-distearate 2-oleate
• 英文别名: 2-oleoyloxy-1,3-bis-stearoyloxy-propane；2-Oleoyloxy-1,3-bis-stearoyloxy-propan；1,3-Bis-stearoyloxy-2-oleoyloxy-propan；1,3-Bis(octadecanoyloxy)propan-2-yl octadec-9-enoate；(3-octadecanoyloxy-2-octadec-9-enoyloxypropyl) octadecanoate
• CAS: 2846-04-0；93396-74-8
• 化学式: C₅₇H₁₀₈O₆
• 分子量: 889.481
• InChiKey: RBLADLVPSYELCA-UHFFFAOYSA-N

物化性质

• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• LogP：
  24.749 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  24.3
• 重原子数：
  63
• 可旋转键数：
  55
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  sodium stearate 在 氢气 作用下， 生成 glycerol 1,3-distearate 2-oleate
  参考文献：
  名称：

  Kreis; Hafner, Chemische Berichte, 1903, vol. 36, p. 2767

  摘要：

  DOI：

文献信息

• Synthesis of triglycerides from 1,3-dibromopropan-2-ol
  作者：Asharam Bhati、Richard J. Hamilton、David A. Steven、Rajender Aneja、Frederick B. Padley

  DOI：10.1039/p29830001553

  日期：——

  1,3-Dibromopropan-2-ol (I) was converted into an acyl derivative (VI) by reaction with an appropriate acyl chloride in the presence of pyridine. The acyl derivative (VI) was subjected to nucleophilic substitution with 3 mol. equiv. tris(decyl)methylammonium carboxylate in refluxing hexane. This led to symmetrical diacid triglycerides in 90–94% yield. Substitution with an equimolar amount of the carboxylate

  通过在吡啶存在下与适当的酰氯反应，将1，3-二溴丙烷-2-醇（I）转化为酰基衍生物（VI）。对酰基衍生物（VI）进行3摩尔亲核取代。当量 在回流己烷中的羧酸三（癸基）甲基铵。这导致对称的二酸甘油三酯收率达到90-94％。用等摩尔量的羧酸取代，主要提供1,2-双酰氧基-3-溴丙烷（VII），可以轻松地将其分离并进一步取代，从而得到约不对称的二酸和三酸三甘油酯。产率96％。脂解显示合成的甘油三酸酯为约。纯度为99％。
• Esterases and Related Nucleic Acids and Methods
  申请人：Mathur Eric J.

  公开号：US20090324574A1

  公开（公告）日：2009-12-31

  The invention provides hydrolases, polynucleotides encoding them, and methods of making and using these polynucleotides and polypeptides. In one aspect, the invention is directed to polypeptides, e.g., enzymes, having a hydrolase activity, e.g., an esterase, acylase, lipase, phospholipase (e.g., phosphplipase A, B, C and D activity, patatin activity, lipid acyl hydrolase (LAH) activity) or protease activity, including thermostable and thermotolerant hydrolase activity, and polynucleotides encoding these enzymes, and making and using these polynucleotides and polypeptides. The hydrolase activities of the polypeptides and peptides of the invention include esterase activity, lipase activity (hydrolysis of lipids), acidolysis reactions (to replace an esterified fatty acid with a free fatty acid), transesterification reactions (exchange of fatty acids between triglycerides), ester synthesis, ester interchange reactions, phospholipase activity and protease activity (hydrolysis of peptide bonds). The polypeptides of the invention can be used in a variety of pharmaceutical, agricultural and industrial contexts, including the manufacture of cosmetics and nutraceuticals. In another aspect, the polypeptides of the invention are used to synthesize enantiomerically pure chiral products.

  本发明提供了水解酶、编码它们的多核苷酸以及制备和使用这些多核苷酸和多肽的方法。在一个方面，本发明涉及具有水解酶活性的多肽，例如酯酶、酰化酶、脂肪酶、磷脂酶（例如磷脂酶A、B、C和D活性、薯蛋白活性、脂肪酰基水解酶（LAH）活性）或蛋白酶活性，包括热稳定和热耐受水解酶活性，以及编码这些酶的多核苷酸，制备和使用这些多核苷酸和多肽。本发明中多肽和多肽的水解酶活性包括酯酶活性、脂肪酶活性（水解脂肪）、酸解反应（用游离脂肪酸替代酯化脂肪酸）、酯交换反应（三酰甘油之间脂肪酸的交换）、酯合成、酯交换反应、磷脂酶活性和蛋白酶活性（水解肽键）。本发明中的多肽可用于各种制药、农业和工业环境中，包括化妆品和营养保健品的制造。在另一个方面，本发明中的多肽被用于合成对映纯手性产物。
• INTERMOLECULAR COMPOUNDS OF FATTY ACID TRIGLYCERIDES
  申请人：ARIMOTO SHIN

  公开号：US20080260931A1

  公开（公告）日：2008-10-23

  There are provided an intermolecular compound of (a) di-saturated medium chain fatty acids mono-saturated long chain fatty acid triglyceride and (b) 1,3-di-saturated long chain fatty acids 2-mono-unsaturated long chain fatty acid triglyceride, of which a long spacing value by X-ray diffraction is 65 Å or more, and foods containing the intermolecular compound. The intermolecular compound can be used as a part of fats and oils that constitute foods. Due to formation of the intermolecular compound, the fats and oils containing large amounts of symmetric triglycerides such as cocoa butter and those containing medium chain fatty acids do not form separate crystals and, therefore, can keep smooth texture and prevent blooming.

  提供了一种分子间化合物，其由（a）二饱和中链脂肪酸单不饱和长链脂肪酸甘油酯和（b）1,3-二饱和长链脂肪酸2-单不饱和长链脂肪酸甘油酯组成，其通过X射线衍射的长间距值为65Å或更大，并且包含该分子间化合物的食品。该分子间化合物可用作构成食品的脂肪和油的一部分。由于形成了分子间化合物，含有大量对称三酸甘油酯（如可可脂）和含有中链脂肪酸的脂肪和油不会形成分离的晶体，因此可以保持平滑的质地并防止开花。
• Compositions and Methods for Making and Modifying Oils
  申请人：Lam David

  公开号：US20080305531A1

  公开（公告）日：2008-12-11

  The invention provides novel methods for making or modifying oils, e.g., plant, animal or microbial oils, such as vegetable oils or related compounds, that are low in a particular fatty acid(s), for example, low linoleic oils, low linolenic oils, low palmitic oils, low stearic oils or oils low in a combination thereof.

  该发明提供了制备或修改油脂的新方法，例如植物、动物或微生物油脂，如低亚油酸油、低亚麻酸油、低棕榈酸油、低硬脂酸油或低上述组合油的植物油或相关化合物。
• Hydrolases, Nucleic Acids Encoding Them And Methods For Making And Using Them
  申请人：Bornscheuer T. Uwe

  公开号：US20070202566A1

  公开（公告）日：2007-08-30

  The invention provides hydrolases, polynucleotides encoding them, and methods of making and using these polynucleotides and polypeptides. In one aspect, the invention is directed to polypeptides, e.g., enzymes, having a hydrolase activity, e.g., an esterase, acylase, lipase, phospholipase (e.g., phosphlipase A, B, C and D activity, patatin activity, lipid acyl hydrolase (LAH) activity) or protease activity, including thermostable and thermotolerant hydrolase activity, and polynucleotides encoding these enzyme, and making and using these polynucleotides and polypeptides. The hydrolase activities of the polypeptides and peptides of the invention include esterase activity, lipase activity (hydrolysis of lipids), acidolysis reactions (to replace an esterified fatty acid with a free fatty acid), transesterification reactions (exchange of fatty acids between triglycerides), ester synthesis, ester interchange reactions, phospholipase activity and protease activity (hydrolysis of peptide bonds). The polypeptides of the invention can be used in a variety of pharmaceutical, agricultural and industrial contexts, including the manufacture of cosmetics and nutraceuticals. In another aspect, the polypeptides of the invention are used to synthesize enantiomerically pure chiral products.

  本发明提供了水解酶、编码它们的多核苷酸以及制备和使用这些多核苷酸和多肽的方法。在一个方面，本发明涉及具有水解酶活性（例如，酯酶、酰化酶、脂肪酶、磷脂酶（例如，磷脂酶A、B、C和D活性）、花生酸酯酶活性或蛋白酶活性，包括热稳定和热耐受水解酶活性）的多肽，以及编码这些酶的多核苷酸，制备和使用这些多核苷酸和多肽。本发明的多肽和肽的水解酶活性包括酯酶活性、脂肪酶活性（水解脂肪）、酸解反应（用自由脂肪酸替换酯化脂肪酸）、酯交换反应（三酰甘油之间的脂肪酸交换）、酯合成、酯交换反应、磷脂酶活性和蛋白酶活性（水解肽键）。本发明的多肽可在各种制药、农业和工业背景下使用，包括制造化妆品和营养保健品。在另一个方面，本发明的多肽用于合成对映纯手性产物。