(3S,4R)-1,3,4-trihydroxy-6-methylheptan-2-one | 1186294-80-3

• 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: (3S,4R)-1,3,4-trihydroxy-6-methylheptan-2-one
• CAS: 1186294-80-3
• 化学式: C₈H₁₆O₄
• 分子量: 176.213
• InChiKey: NWUDQFIEKKMDKY-SVRRBLITSA-N

物化性质

• 沸点：
  344.6±27.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,3,4-三羟基-5-氧代戊基)磷酸二氢酯 、 (3S,4R)-1,3,4-trihydroxy-6-methylheptan-2-one 在 TK 作用下， 生成 D(+)-α-hydroxy-isocaproaldehyde 、 (2,3,4,5,7-五羟基-6-氧代庚基)磷酸二氢酯
  参考文献：
  名称：

  Amino acid precursors for the detection of transketolase activity in Escherichia coli auxotrophs

  摘要：

  Probes were developed for the in vivo detection of transketolase activity by the use of a complementation assay in Escherichia coli auxotrophs They combine the D-threo ketose moiety recognised by transketolase and the side chain of leucine or methionine. These compounds were donor substrates of yeast transketolase leading to the release of the corresponding alpha-hydroxyaldehydes which could be converted in E. coli by a cascade of reactions into leucine or methionine required for cellular growth. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.111
• 作为产物：
  描述：

  D(+)-α-hydroxy-isocaproaldehyde 、 3-羟基-2-氧代丙酸 在 transketolase 作用下， 以5%的产率得到(3S,4R)-1,3,4-trihydroxy-6-methylheptan-2-one
  参考文献：
  名称：

  Amino acid precursors for the detection of transketolase activity in Escherichia coli auxotrophs

  摘要：

  Probes were developed for the in vivo detection of transketolase activity by the use of a complementation assay in Escherichia coli auxotrophs They combine the D-threo ketose moiety recognised by transketolase and the side chain of leucine or methionine. These compounds were donor substrates of yeast transketolase leading to the release of the corresponding alpha-hydroxyaldehydes which could be converted in E. coli by a cascade of reactions into leucine or methionine required for cellular growth. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.111