aconitate A | 65146-88-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: aconitate A
• 英文别名: trans-aconitic acid α-methyl ester；trans-Aconitsaeure-α-methylester；(2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid；(E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
• CAS: 65146-88-5
• 化学式: C₇H₈O₆
• 分子量: 188.137
• InChiKey: MRNZYUAGJLJQAM-DUXPYHPUSA-N

物化性质

• 熔点：
  136 °C
• 沸点：
  456.1±45.0 °C(Predicted)
• 密度：
  1.444±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  aconitate A 在 乙醚 、 铂 作用下， 生成 propane-1,2,3-tricarboxylic acid-1-methyl ester
  参考文献：
  名称：

  Malachowski, Bulletin International de l'Academie Polonaise des Sciences et des Lettres, Classe des Sciences Mathematiques et Naturelles, Serie A: Sciences Mathematiques, 1929, p. 271

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 、 氯仿 、 溴 作用下， 生成 aconitate A
  参考文献：
  名称：

  Malachowski; Giedroyc; Jerzmanowska, Chemische Berichte, 1928, vol. 61, p. 2525

  摘要：

  DOI：

文献信息

• Petrini, Marino; Ballini, Roberto; Marcantoni, Enrico, Synthetic Communications, 1988, vol. 18, # 8, p. 847 - 854
  作者：Petrini, Marino、Ballini, Roberto、Marcantoni, Enrico

  DOI：——

  日期：——
• PETRINI, MARINO;BALLINI, ROBERTO;MARCANTONI, ENRICO;ROSINI, GOFFREDO, SYNTH. COMMUN., 18,(1988) N 8, 847-853
  作者：PETRINI, MARINO、BALLINI, ROBERTO、MARCANTONI, ENRICO、ROSINI, GOFFREDO

  DOI：——

  日期：——
• ITACONIC ACID AND ITACONATE METHYLESTER PRODUCTION
  申请人：DSM IP Assets B.V.

  公开号：EP2922952A2

  公开（公告）日：2015-09-30
• RECOMBINANT CELLS PRODUCING ITACONIC ACID AND METHYL ESTERS THEREOF
  申请人：DSM IP Assets B.V.

  公开号：US20170191091A1

  公开（公告）日：2017-07-06

  The present invention relates to a recombinant cell which is capable of producing one or more of itaconic acid, 4-methyl itaconate or 1-methyl itaconate, wherein the said recombinant microorganism has been modified in its genome such that it results in a deficiency in the production of a trans-aconitate methyltransferase. A recombinant yeast cell which is capable of producing itaconic acid and which overexpresses: —a nucleic acid encoding a polypeptide having cis-aconitate decarboxylase activity; and —one or more nucleic acids encoding polypeptides which separately or together catalyze a reaction towards acetyl CoA, wherein the said recombinant microorganism has been modified in its genome such that it results in a deficiency in the production of a trans-aconitate methyltransferase. These recombinant yeast cells may be used in processes for the production of itaconic acid, 4-methyl itaconate or 1-methyl itaconate.
• ITACONIC ACID AND ITACONATE METHYLESTER AND DIMETHYLESTER PRODUCTION
  申请人：DSM IP Assets B.V.

  公开号：US20170191089A1

  公开（公告）日：2017-07-06

  The present invention relates to a recombinant yeast cell which is capable of producing one or more of 4-methyl itaconate, 1-methyl itaconate or 1,4-dimethyl itaconate. The invention also relates to a recombinant yeast cell which is capable of producing itaconic acid and which overexpresses: —a nucleic acid encoding a polypeptide having cis-aconitate decarboxylase activity; and —a nucleic acid encoding a polypeptide which catalyzes a reaction towards acetyl CoA. These recombinant yeast cells may be used in processes for the production of itaconic acid, 4-methyl itaconate, 1-methyl itaconate or 1,4-dimethyl itaconate.