2-methyl-4-oxo-pentenedioic acid | 115154-44-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-methyl-4-oxo-pentenedioic acid
• 英文别名: 2-Methyl-4-oxo-pentendisaeure；(E)-2-methyl-4-oxopent-2-enedioic acid
• CAS: 115154-44-4
• 化学式: C₆H₆O₅
• 分子量: 158.111
• InChiKey: WLGLTNPFBKNYGG-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  diethyl 2-methyl-4-oxopent-2-enedioate 在 barium dihydroxide 作用下， 生成 2-methyl-4-oxo-pentenedioic acid
  参考文献：
  名称：

  Genvresse, Bulletin de la Societe Chimique de France, 1893, vol. <3> 9, p. 377

  摘要：

  DOI：

文献信息

• MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE
  申请人：Genomatica, Inc.

  公开号：EP2563926A1

  公开（公告）日：2013-03-06
• PH-BIOSENSORS BASED ON COMPOUNDS PRODUCED FROM PYRUVIC ACID FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY AND THEIR USES
  申请人：Technische Universität München

  公开号：EP3058375A1

  公开（公告）日：2016-08-24
• MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO
  申请人：Burgard Anthony P.

  公开号：US20120329119A1

  公开（公告）日：2012-12-27

  The invention provides non-naturally occurring microbial organisms having a propylene pathway. The invention additionally provides methods of using such organisms to produce propylene.
• pH-Biosensors Based on Compounds Produced From Pyruvic Acid For Magnetic Resonance Imaging and Spectroscopy and Their Uses
  申请人：TECHNISCHE UNIVERSITÄT MÜNCHEN

  公开号：US20160252532A1

  公开（公告）日：2016-09-01

  The present invention relates to the use of compounds with at least one pH-sensitive chemical shift for determining pH and/or measuring pH changes in magnetic resonance. More specifically, the present invention is related to compounds with at least one pH-sensitive chemical shift, such compound being selected from pyruvic acid and its metabolites, compounds produced from pyruvic acid after interaction with acid, and compounds comprising at least one enolic group whose pK a value is lowered through effects of at least one neighboring group into a physiological and/or pathological pH-range, and wherein the compound exhibits at least one pH-sensitive chemical shift in an NMR spectrum. The present invention further relates to biosensors comprising at least one of the compounds. The present invention is furthermore related to in vitro and in vivo methods for determining pH and/or measuring pH changes using the compounds or biosensors. The present invention also relates to methods of diagnosing and/or monitoring treatment of a disease causing changes in pH wherein the compounds or biosensors are applied. The present invention also relates to use of the compounds or biosensors in quality control of food or in the examination of plants and organisms.
• US8617862B2
  申请人：——

  公开号：US8617862B2

  公开（公告）日：2013-12-31