α-amino-β-carboxymuconate-ε-semialdehyde

• 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: α-amino-β-carboxymuconate-ε-semialdehyde
• 英文别名: 2-Amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid；(Z)-2-amino-3-[(E)-3-oxoprop-1-enyl]but-2-enedioic acid
• 化学式: C₇H₇NO₅
• 分子量: 185.136
• InChiKey: KACPVQQHDVBVFC-OMUGJNSGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  α-amino-β-carboxymuconate-ε-semialdehyde 在 HEPES buffer 、 甘油 作用下， 生成 α-aminomuconate-ε-semialdehyde
  参考文献：
  名称：

  α-氨基-β-羧基粘酸-ε-半醛脱羧酶催化金属依赖性非氧化脱羧过程中瞬态中间体的检测

  摘要：

  金属酶介导的非氧化脱羧反应的第一个描述是由 α-氨基-β-羧基粘康酸-e-半醛脱羧酶 (ACMSD) (Li, T.; Walker, AL; Iwaki, H.; Hasegawa, Y.; Liu, AJ Am. Chem. Soc. 2005, 127, 12282−12290 和 Liu, A.；Zhang, H. Biochemistry 2006, 45, 10407−10411)。在这里，我们报告了使用钴 (II) 重组酶对 ACMSD 反应进行的快速动力学研究。表征了两个以前未检测到的反应中间体。这些被认为是脱羧的氨基粘康酸-e-半醛 (AMS) 产物，与酶和从 ACMSD 释放后的游离 AMS 复合。可以确定酶-底物复合物（2.4 × 106 s-1 M-1）的形成速率，AMS 产物的释放（8.8 s-1），AMS 自发环化为吡啶甲酸 (0.05 s-1)，这是反应的最终

  DOI：

  10.1021/ja073648l

文献信息

• SOLVENT, SOLUTION, CLEANING COMPOSITION AND METHODS
  申请人：Rieth Lee R.

  公开号：US20120128614A1

  公开（公告）日：2012-05-24

  A cleaning composition can comprise aqueous, nonaqueous liquid, or solid formulations The formulations can contain a surfactant and a solvent The solvent has been shown to have utility in promoting removal, solubilizing or cleaning undesirable soil residues from a number of substrates The solvent materials can be used as a component of an aqueous solution, can be combined in a solid or powdered formulation as an encapsulated solvent or can be combined in a solid or powdered formulation as a solvent absorbed on a solid earner The aqueous formulations can be made in the form of a concentrate The cleaner can be combined with water to form an active cleaning solution that can be applied in a variety of cleaning processes The cleaner can contain additional ingredients including surfactants, builders, sequestrates, bleaches, biocides, to be found in cleaners of general and specific applications Personal care cleaning products are also described.

  清洁剂可以包括水性、非水性液体或固体配方。这些配方可以包含表面活性剂和溶剂。已经证明，溶剂在促进从多种基质中去除、溶解或清洁不良土壤残留物方面具有实用性。溶剂材料可以作为水溶液的组分使用，可以作为封装溶剂的固体或粉末配方结合使用，也可以作为吸附在固体载体上的溶剂的固体或粉末配方结合使用。水性配方可以制成浓缩液的形式。清洁剂可以与水混合形成活性清洁溶液，可应用于各种清洁过程。清洁剂可以包含其他成分，包括表面活性剂、建筑材料、螯合剂、漂白剂、生物杀灭剂，以满足一般和特定应用领域的清洁剂的需求。还描述了个人护理清洁产品。
• Polyketal Compounds, Synthesis, and Applications
  申请人：Selifonov Sergey

  公开号：US20110021658A1

  公开（公告）日：2011-01-27

  The invention relates to polyketal compounds. The compounds are synthesized by the selective ketalization of oxocarboxylic acids, e.g. keto acids and semialdehydes, and esters thereof with tetrols and higher polyols that products two or more cyclic ketal ester moieties per molecule, wherein the cyclic ketal moieties are situated in a bis-, tris-, or polyketal conformation. The invention further relates to applications of these compounds and subsequent reactions thereof.

  该发明涉及聚酯化合物。该化合物是通过选择性酮缩氧羧酸，例如酮酸和半醛，以及它们与四元醇和更高级聚醇的酯的缩酮化合成的，每个分子产生两个或更多的环状缩酮酯基团，其中环状缩酮基团位于双酯，三酯或聚酯构象中。该发明还涉及这些化合物及其后续反应的应用。
• Method of Making Ketals and Acetals
  申请人：Selifonov Sergey

  公开号：US20100292491A1

  公开（公告）日：2010-11-18

  The reaction of alcohols with oxocarboxylates to form acetals or ketals is catalyzed by unexpectedly low levels of protic acids. By employing low acid catalyst levels compared to amounts conventionally used, rapid formation of acetal or ketal is facilitated while the formation of oxocarboxylate esters is minimized. Further employing a significant molar excess of oxocarboxylate in conjunction with low acid catalyst level gives rise to the rapid and clean formation of acetals and ketals from oxocarboxylates and alcohols.
• TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS
  申请人：Selifonov Sergey

  公开号：US20110082264A1

  公开（公告）日：2011-04-07

  The present disclosure relates to the preparation of ketal compounds from polyols and oxocarboxylates, and uses thereof.
• Metabolomics-Based Identification of Disease-Causing Agents
  申请人：Skolnick Jeffrey

  公开号：US20110246081A1

  公开（公告）日：2011-10-06

  A method, computer-readable medium, and system for identifying one or more metabolites associated with a disease, comprising: comparing gene expression data from diseased cells to gene expression data from control cells in order to deduce genes that are differentially-regulated in the diseased cells relative to the control cells; based on enzyme function and pathway data for all human metabolites that utilize the genes that are differentially-regulated in the disease cells, identifying one or more metabolites whose intracellular levels are higher or lower in diseased cells than in control cells, and thereby associating the one or more metabolites with the disease.