12-oxo-(10E)-dodecan-10-oic acid | 65410-38-0

• 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: 12-oxo-(10E)-dodecan-10-oic acid
• 英文别名: 12-oxo-(E)-10-dodecenoic acid；12-oxo-10E-dodecenoic acid；traumatin；12-oxo-dodec-10t-enoic acid；12-Oxo-dodec-10t-ensaeure；(E)-12-oxododec-10-enoic acid
• CAS: 65410-38-0
• 化学式: C₁₂H₂₀O₃
• 分子量: 212.289
• InChiKey: INMKWUNQKOWGEZ-VQHVLOKHSA-N

物化性质

• 物理描述：
  Solid
• 熔点：
  65-66°C

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918300090

反应信息

• 作为反应物：
  描述：

  12-oxo-(10E)-dodecan-10-oic acid 在 recombinant barley alkenal hydrogenase 1 、 还原型辅酶II(NADPH)四钠盐 作用下， 以 phosphate buffer 、 乙醇 为溶剂， 生成 12-oxododecanoic acid
  参考文献：
  名称：

  Enzymatic Hydrogenation of trans-2-Nonenal in Barley

  摘要：

  Conversion of undesirable, taste-active compounds is crucial for using barley as a suitable raw material for beer production. Here, ALH1, a barley alkenal hydrogenase enzyme that reduced the alpha,beta-unsaturated double bond of aldehydes and ketones, was found to convert traps-2-nonenal (T2N), a major contributor to the cardboard-like flavor of aged beer. Although the physiological function of ALH1 in barley development remains elusive, it exhibited high specificity with NADPH as a cofactor in the conversion of several oxylipins-including T2N, traps-2-hexenal, traumatin, and 1-octen-3-one. ALH1 action represents a previously unknown mechanism for T2N conversion in barley. Additional experimental results resolved the genomic sequence for barley ALH1, as well as the identification of a paralog gene encoding ALH2. Interestingly, T2N was not converted by purified, recombinant ALH2. The possibility to enhance ALH1 activity in planta is discussed-not only with respect to the physiological consequences thereof-but also in relation to improved beer quality.

  DOI：

  10.1021/jf050696l
• 作为产物：
  描述：

  (+/-)-顺式-12,13-环氧-9(Z)-十八碳烯酸 在 乙醇 、 溶剂黄146 、 过碘酸 作用下， 生成 12-oxo-(10E)-dodecan-10-oic acid
  参考文献：
  名称：

  脂肪酸。第二部分 存在于Vernonia anthelmintica（Willd。）种子油中的氧化酸的性质

  摘要：

  DOI：

  10.1039/jr9540001611

文献信息

• FORMULATIONS FOR THE DELIVERY OF ACTIVE AGENTS TO INSECTS, PLANTS, AND PLANT PATHOGENS
  申请人：Preceres Inc.

  公开号：US20170325457A1

  公开（公告）日：2017-11-16

  The present disclosure is directed to formulations comprising (1) at least one formulation transport agent, (2) at least one complexing agent, and (3) at least one active agent that modulates one or more traits of a target insect, plant, or plant pathogen. The present disclosure is also directed to methods of delivering such formulations to the target organism, as well as to formulation transport agents used to prepare such formulations.

  本公开涉及包含（1）至少一种制剂运输剂、（2）至少一种络合剂和（3）至少一种调节目标昆虫、植物或植物病原体的一个或多个特征的活性剂的配方。本公开还涉及将这种配方传递给目标生物体的方法，以及用于制备这种配方的制剂运输剂。
• A New Synthesis of, α-Unsaturated Aldehydes: Synthesis of Traumatin and Bombykol
  作者：L. Dasaradhi、Parvathi Neelakantan、S. Jagadishwar Rao、U. T. Bhalerao

  DOI：10.1080/00397919108020810

  日期：1991.1

  Abstract A novel conversion of an alkene to a higher homologue αβ-unsaturated aldehyde was achieved in three steps. The aldehydes were used for the synthesis of traumatin, a wound hormone and bombykol, the pheromone of bombyx mori.

  摘要 通过三个步骤实现了烯烃向更高同系物 αβ-不饱和醛的新型转化。这些醛被用于合成外伤素、一种伤口激素和家蚕的信息素bombykol。
• UV Lamp as a Facile Ozone Source for Structural Analysis of Unsaturated Lipids Via Electrospray Ionization-Mass Spectrometry
  作者：Craig A. Stinson、Wenpeng Zhang、Yu Xia

  DOI：10.1007/s13361-017-1861-2

  日期：2018.3.1

  Ozonolysis of alkene functional groups is a type of highly specific and effective chemical reaction, which has found increasing applications in structural analysis of unsaturated lipids via coupling with mass spectrometry (MS). In this work, we utilized a low-pressure mercury lamp (6 W) to initiate ozonolysis inside electrospray ionization (ESI) sources. By placing the lamp near a nanoESI emitter that

  烯烃官能团的臭氧分解是一种高度特异性和有效的化学反应，通过与质谱联用（MS）已发现其在不饱和脂质的结构分析中的应用越来越广泛。在这项工作中，我们利用低压汞灯（6 W）在电喷雾电离（ESI）源内部引发臭氧分解。通过将灯放置在nanoESI发射器附近，该发射器会部分透射灯的185 nm紫外线（UV）发射，喷涂溶液中溶解的双氧会转化为臭氧，随后会裂解脂质的脂肪酰基中的双键。发现溶剂条件，例如水和酸溶液pH的存在，对于优化臭氧分解产率至关重要。通过在静态和注入nanoESI光源上结合UV灯诱导的臭氧分解，可对模型不饱和磷脂和脂肪酸进行快速（以秒为单位的时间）和有效（50％–100％的产率）的臭氧分解。该方法能够区分双键位置异构体，并基于产率鉴定双键的几何形状。通过在液相色谱（LC）-MS平台上的实施进一步证明了UV灯诱导的臭氧分解的分析效用。臭氧分解是在由臭氧可渗透管制成的流动微反应器中进行的，因
• FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME
  申请人：KemPharm, Inc.

  公开号：US20170247368A1

  公开（公告）日：2017-08-31

  The presently described technology provides a novel class of prodrugs of quetiapine that can be synthesized by chemically conjugating fatty acids to quetiapine. Pharmaceutical compositions and methods of synthesizing conjugates of the present technology are also provided. Methods of treating patients with the compositions of the present technology are also provided.

  目前所描述的技术提供了一种新型的奎硫平前药类，可以通过将脂肪酸与奎硫平进行化学共轭来合成。同时，还提供了制备本技术共轭物的药物组合物和方法。还提供了使用本技术组合物治疗患者的方法。
• MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID
  申请人：Burk Mark J.

  公开号：US20120282661A1

  公开（公告）日：2012-11-08

  The invention provides a non-naturally occurring microbial organism having a 6-aminocaproic acid, caprolactam, hexametheylenediamine or levulinic acid pathway. The microbial organism contains at least one exogenous nucleic acid encoding an enzyme in the respective 6-aminocaproic acid, caprolactam, hexametheylenediamine or levulinic acid pathway. The invention additionally provides a method for producing 6-aminocaproic acid, caprolactam, hexametheylenediamine or levulinic acid. The method can include culturing a 6-aminocaproic acid, caprolactam or hexametheylenediamine producing microbial organism, where the microbial organism expresses at least one exogenous nucleic acid encoding a 6-aminocaproic acid, caprolactam, hexametheylenediamine or levulinic acid pathway enzyme in a sufficient amount to produce the respective product, under conditions and for a sufficient period of time to produce 6-aminocaproic acid, caprolactam, hexametheylenediamine or levulinic acid.

  本发明提供了一种非自然存在的微生物有6-氨基己酸、己内酰胺、六亚甲基二胺或丙酮酸途径。该微生物含有至少一种外源核酸，编码相应的6-氨基己酸、己内酰胺、六亚甲基二胺或丙酮酸途径中的酶。本发明还提供了一种生产6-氨基己酸、己内酰胺、六亚甲基二胺或丙酮酸的方法。该方法可以包括培养6-氨基己酸、己内酰胺或六亚甲基二胺产生微生物，其中微生物在适当的条件下表达至少一种外源核酸编码的6-氨基己酸、己内酰胺、六亚甲基二胺或丙酮酸途径酶，以产生相应的产物，持续一定的时间。