Isobutyryl CoA

• 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: Isobutyryl CoA
• 英文别名: S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-methylpropanethioate
• 化学式: C₂₅H₄₂N₇O₁₇P₃S
• 分子量: 837.632
• InChiKey: AEWHYWSPVRZHCT-NNYIDDMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  53
• 可旋转键数：
  21
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  389
• 氢给体数：
  9
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  Isobutyryl CoA 、 urauchimycin B 在 5,5'-二硫双(2-硝基苯甲酸) 、 Streptomyces albus J₁₀₇₄ AntB 作用下， 反应 10.0h， 生成 antimycin A_7a
  参考文献：
  名称：

  Characterization of AntB, a Promiscuous Acyltransferase Involved in Antimycin Biosynthesis

  摘要：

  The in vivo and in vitro characterization of AntB, a dedicated acyltransferase encoded in the antimycin biosynthetic gene cluster, which catalyzes the C-8 acyloxy formation is reported. It is demonstrated that AntB has broad substrate specificity toward both the acyl substrate and the acyl carrier and produces more antimycin analogues with varying C-8 acyloxy moieties.

  DOI：

  10.1021/ol4014365

文献信息

• METHODS OF TREATING ORGANIC ACIDEMIAS
  申请人：Hemoshear Therapeutics, Inc.

  公开号：EP3937922A1

  公开（公告）日：2022-01-19
• METHODS FOR ENHANCING IMMUNE CHECKPOINT BLOCKADE THERAPY BY MODULATING THE MICROBIOME
  申请人：THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM

  公开号：US20200129569A1

  公开（公告）日：2020-04-30

  Provided herein are methods and compositions for the treatment of cancer by modulating the microbiome to enhance the efficacy of immune checkpoint blockade. The microbiome may be modulated by the administration of butyrate and/or butyrate-producing bacteria. Also provided herein are methods of determining a response to an immune checkpoint inhibitor by identifying if a subject has a favorable microbial profile.
• [EN] METHODS OF TREATING ORGANIC ACIDEMIAS<br/>[FR] MÉTHODES DE TRAITEMENT DES ACIDÉMIES ORGANIQUES
  申请人：HEMOSHEAR THERAPEUTICS LLC

  公开号：WO2020186216A1

  公开（公告）日：2020-09-17

  The present disclosure relates to methods of treating organic acidemias. In some embodiments, the methods comprise reducing propionyl-CoA, isovaleryl-CoA and methylmalonyl-CoA production, and various related metabolites, in a subject in need thereof.
• Characterization of AntB, a Promiscuous Acyltransferase Involved in Antimycin Biosynthesis
  作者：Moriah Sandy、Xuejun Zhu、Zhe Rui、Wenjun Zhang

  DOI：10.1021/ol4014365

  日期：2013.7.5

  The in vivo and in vitro characterization of AntB, a dedicated acyltransferase encoded in the antimycin biosynthetic gene cluster, which catalyzes the C-8 acyloxy formation is reported. It is demonstrated that AntB has broad substrate specificity toward both the acyl substrate and the acyl carrier and produces more antimycin analogues with varying C-8 acyloxy moieties.