8-hydroperoxy-9,12-octadecadienoic 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: 8-hydroperoxy-9,12-octadecadienoic Acid
• 英文别名: (9E,12E)-8-hydroperoxyoctadeca-9,12-dienoic acid
• 化学式: C₁₈H₃₂O₄
• 分子量: 312.4
• InChiKey: RGJSGXNKRWWCOQ-WXGDJGGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• ENZYME-CATALYZED ENANTIOSELECTIVE AZIRIDINATION OF OLEFINS
  申请人：California Institute of Technology

  公开号：US20160222423A1

  公开（公告）日：2016-08-04

  The present invention provides methods for catalyzing the conversion of an olefin to a compound containing one or more aziridine functional groups using heme enzymes. In certain aspects, the present invention provides a reaction mixture for producing an aziridination product, the reaction mixture comprising of an olefinic substrate, a nitrene precursor, and a heme enzyme. In other certain aspects, the present invention provides a method for producing an aziridination product comprising providing an olefinic substrate, a nitrene precursor, and a heme enzyme; and admixing the components in a reaction for a time sufficient to produce an aziridine product. In other aspects, the present invention provides heme enzymes including variants and fragments thereof that are capable of carrying out in vivo and in vitro olefin aziridination reactions. Expression vectors and host cells expressing the heme enzymes are also provided by the present invention.

  本发明提供了利用血红素酶催化烯烃转化为含有一个或多个氮杂环丙烷官能团的化合物的方法。在某些方面，本发明提供了用于生产氮杂环丙烷产物的反应混合物，该反应混合物包括烯烃底物、氮烯前体和血红素酶。在其他某些方面，本发明提供了一种生产氮杂环丙烷产物的方法，包括提供烯烃底物、氮烯前体和血红素酶；并将这些组分混合在反应中，以产生氮杂环丙烷产物所需的时间。在其他方面，本发明提供了包括能够在体内和体外进行烯烃氮杂环丙烷化反应的血红素酶及其变体和片段。本发明还提供了表达载体和表达血红素酶的宿主细胞。
• [EN] HEME PROTEIN CATALYSTS FOR CARBON-BORON BOND FORMATION IN VITRO AND IN VIVO<br/>[FR] CATALYSEURS DE PROTÉINES À HÈMES POUR LA FORMATION D'UNE LIAISON CARBONE-BORE IN VITRO ET IN VIVO
  申请人：CALIFORNIA INST OF TECHN

  公开号：WO2018165325A1

  公开（公告）日：2018-09-13

  Provided herein are methods for producing an organoboron product. The methods include combining a boron-containing reagent and a carbene precursor in the presence of a heme protein, e.g., a cytochrome c, a cytochrome P450, a globin, a protoglobin, a nitric oxide dioxygenase, a peroxidase, or a catalase, or a variant thereof, under conditions sufficient to form the organoboron product. Reaction mixtures for producing organoboron products are also described, as well as whole-cell catalysts comprising heme proteins and variants thereof for forming carbon-boron bonds.

  本文提供了生产有机硼产物的方法。这些方法包括在存在血红蛋白蛋白质（例如细胞色素c、细胞色素P450、血红蛋白、原血红蛋白、一氧化氮双氧酶、过氧化物酶或催化酶，或其变体）的条件下，将含硼试剂和卡宾前体结合，以形成有机硼产物。描述了用于生产有机硼产物的反应混合物，以及包含血红蛋白蛋白质及其变体的全细胞催化剂，用于形成碳硼键。
• Heme Protein Catalysts for Carbon-Silicon Bond Formation In Vitro and In Vivo
  申请人：California Institute of Technology

  公开号：US20170218346A1

  公开（公告）日：2017-08-03

  The present invention provides compositions and methods for catalyzing the formation of carbon-silicon bonds using heme proteins. In certain aspects, the present invention provides heme proteins, including variants and fragments thereof, that are capable of carrying out in vitro and in vivo carbene insertion reactions for the formation of carbon-silicon bonds. In other aspects, the present invention provides methods for producing an organosilicon product, the method comprising providing a silicon-containing reagent, a carbene precursor, and a heme protein; and combining the components under conditions sufficient to produce an organosilicon product. Host cells expressing the heme proteins are also provided by the present invention.

  本发明提供了利用血红素蛋白催化碳硅键形成的组合物和方法。在某些方面，本发明提供了能够进行体外和体内碳烯插入反应以形成碳硅键的血红素蛋白，包括其变体和片段。在其他方面，本发明提供了生产有机硅产物的方法，该方法包括提供含硅试剂、碳烯前体和血红素蛋白；并在足以产生有机硅产物的条件下将这些组分结合在一起。本发明还提供了表达血红素蛋白的宿主细胞。
• ENZYMATIC METHODS FOR NITROGEN-ATOM TRANSFER
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20160040199A1

  公开（公告）日：2016-02-11

  The present invention provides methods for catalyzing a nitrene insertion into a C—H bond to produce a product having a new C—N bond, comprising providing a C—H containing substrate, a nitrene precursor and an engineered heme enzyme; and allowing the reaction to proceed for a time sufficient to form a regioselective product having a new C—N bond.

  本发明提供了催化亚硝基插入到C-H键形成新的C-N键的方法，包括提供含有C-H键的底物、亚硝基前体和经过工程改造的血红素酶；并允许反应进行足够长的时间以形成具有新的C-N键的区域选择性产物。
• Cytochrome C protein variants for catalyzing carbon-silicon bond formation
  申请人：California Institute of Technology

  公开号：US10093906B2

  公开（公告）日：2018-10-09

  The present invention provides compositions and methods for catalyzing the formation of carbon-silicon bonds using heme proteins. In certain aspects, the present invention provides heme proteins, including variants and fragments thereof, that are capable of carrying out in vitro and in vivo carbene insertion reactions for the formation of carbon-silicon bonds. In other aspects, the present invention provides methods for producing an organosilicon product, the method comprising providing a silicon-containing reagent, a carbene precursor, and a heme protein; and combining the components under conditions sufficient to produce an organosilicon product. Host cells expressing the heme proteins are also provided by the present invention.

  本发明提供了利用血红素蛋白催化碳硅键形成的组合物和方法。在某些方面，本发明提供了能够进行体外和体内碳-硅键形成的碳烯插入反应的血红素蛋白，包括其变体和片段。在其他方面，本发明提供了生产有机硅产品的方法，该方法包括提供含硅试剂、碳烯前体和血红素蛋白；以及在足以生产有机硅产品的条件下组合这些组分。本发明还提供了表达血红素蛋白的宿主细胞。