(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate

• 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: (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate
• 英文别名: (3Z,5Z)-7-hydroxy-6-oxido-7-oxohepta-3,5-dienoate
• 化学式: C₇H₆O₅
• 分子量: 170.122
• InChiKey: ZBCBETMBSDTINL-NWJCXACMSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate 在 5-(carboxymethyl)-2-oxo-3-hexene-1,6-dioate decarboxylase 、 NaH₂PO₄ buffer 作用下， 生成 (Z)-2-oxo-4-heptene-1,7-dioate
  参考文献：
  名称：

  Characterization of a dienol intermediate in the 5-(carboxymethyl)-2-oxo-3-hexene-1,6-dioate decarboxylase reaction

  摘要：

  DOI：

  10.1021/ja00053a070
• 作为产物：
  描述：

  (3E)-5-oxopent-3-ene-1,2,5-tricarboxylate 在 5-(carboxymethyl)-2-oxo-3-hexene-1,6-dioate decarboxylase 、 NaH₂PO₄ buffer 作用下， 生成 (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate
  参考文献：
  名称：

  Characterization of a dienol intermediate in the 5-(carboxymethyl)-2-oxo-3-hexene-1,6-dioate decarboxylase reaction

  摘要：

  DOI：

  10.1021/ja00053a070

文献信息

• Identification and Purification of Distinct Isomerase and Decarboxylase Enzymes Involved in the 4-Hydroxyphenylacetate Catabolic Pathway of Escherichia coli
  作者：Amando GARRIDO-PERTIERRA、Ronald A. COOPER

  DOI：10.1111/j.1432-1033.1981.tb06377.x

  日期：——

  The possible involvement of an isomerase in the 4‐hydroxyphenylacetate meta‐cleavage pathway has been studied. 5‐Carboxymethyl‐2‐hydroxymuconate has been shown to undergo both spontaneous and enzymecatalysed isomerisation to give 5‐carboxymethyl‐2‐oxo‐hex‐3‐ene‐1,6‐dioate, a compound with an absorbance maximum at 246 nm. The latter compound rather than the former is the substrate for a decarboxylase that produces 2‐hydroxyhepta‐2,4‐diene‐1,7‐dioate. The isomerase and decarboxylase enzymes have been purified to over 90% homogeneity. Mg2+ is required for the decarboxylase reaction but not for the isomerase.
• Characterization of a dienol intermediate in the 5-(carboxymethyl)-2-oxo-3-hexene-1,6-dioate decarboxylase reaction
  作者：William H. Johnson、Gholamhossein Hajipour、Christian P. Whitman

  DOI：10.1021/ja00053a070

  日期：1992.12