| 951692-16-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 951692-16-3
• 化学式: C₃₆H₄₇FN₇O₁₇P₃S
• 分子量: 993.792
• InChiKey: GFOGIIXIXKGLHP-LWLLPUMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  65.0
• 可旋转键数：
  22.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  363.63
• 氢给体数：
  9.0
• 氢受体数：
  19.0

反应信息

• 作为产物：
  描述：

  氟比洛芬 、 辅酶 A 在 adenylate kinase 、 pyruvate kinase 、 磷烯醇丙酮酸 、 recombinant Luciola lateralis luciferase 、 5’-三磷酸腺苷 、 还原型辅酶Ⅰ 、 magnesium chloride 、 L-lactate dehydrogenase 作用下， 生成 、 艾氟洛芬
  参考文献：
  名称：

  Enantiodifferentiation of ketoprofen by Japanese firefly luciferase from Luciola lateralis

  摘要：

  Recently, we found that firefly luciferase exhibited (R)-enantioselective thioesterification activity toward 2-arylpropanoic acids. In the case of Japanese firefly luciferase from Luciola lateralis (LUG-H), the E-value for ketoprofen was approximately 20. In this study, we used a spectrophotometric method to measure the catalytic activity of LUG-H. Using this method allowed us to judge the reaction efficiency easily. Our results confirmed that LUG-H exhibits enantioselective thioesterification activity toward a series of 2-arylpropanoic acids. The highest activity was observed with ketoprofen. We also observed high enzymatic activity of LUC-H toward long-chain fatty acids. These results were reasonable because LUC-H is homologous with long-chain acyl-CoA synthetase. To obtain further information about the enantiodifferentiation mechanism of the LUC-H catalyzed thioesterification of ketoprofen, we determined the kinetic parameters of the reaction relative to each of its three substrates: ketoprofen, ATP, and coenzyme A (CoASH). We found that whereas the affinities of each compound are not affected by the chirality of ketoprofen, enantiodifferentiation is achieved by a chirality-dependent difference in the K(cat) parameter. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.01.008