Diethyl oxalpropionate (BioDeep_00000005394)

 

Secondary id: BioDeep_00001869160

human metabolite PANOMIX_OTCML-2023 Endogenous BioNovoGene_Lab2019 Volatile Flavor Compounds


代谢物信息卡片


Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester

化学式: C9H14O5 (202.08411940000002)
中文名称: 草酰丙酸二乙酯, 2-甲基-3-氧代琥珀酸二乙酯
谱图信息: 最多检出来源 Homo sapiens(blood) 2.58%

分子结构信息

SMILES: CCOC(=O)C(=O)C(C)C(=O)OCC
InChI: InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3

描述信息

Diethyl oxalpropionate, also known as methyloxalacetic acid diethyl ester or diethyl methyloxalacetate, is a member of the class of compounds known as beta-keto acids and derivatives. These compounds are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. Diethyl oxalpropionate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Within the cell, diethyl oxalpropionate is primarily located in the cytoplasm.
Diethyl oxalpropionate is an intermediate for poly((R,S)-3,3-dimethylmalic acid) (PDMMLA) derivative synthesis. PDMMLA derivative can be used in synthesis of nanoparticles and study of warfarin encapsulation and controlled release[1].

同义名列表

30 个代谢物同义名

Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester; Propanoic acid, 2-(ethoxyoxoacetyl)-, ethyl ester; Butanedioate, 2-methyl-3-oxo-, 1,4-diethyl ester; Butanedioic acid, 2-methyl-3-oxo-, diethyl ester; Oxalacetic acid, methyl-, diethyl ester (8ci); Butanedioic acid, methyloxo-, diethyl ester; Oxalacetic acid, methyl-, diethyl ester; 1,4-diethyl 2-methyl-3-oxobutanedioate; Methyloxalacetic acid diethyl ester; Diethyl 3-methyl-2-oxosuccinic acid; Diethyl 2-methyl-3-oxosuccinic acid; Ethyl alpha-ethoxalylpropionic acid; Diethyl 2-methyl-3-oxobutanedioate; Diethyl methyloxobutanedioic acid; Diethyl 2-methyloxosuccinic acid; Diethyl 3-methyl-2-oxosuccinate; Ethyl α-ethoxalylpropionic acid; Ethyl alpha-ethoxalylpropionate; DIETHYL-2-methyl-3-oxosuccinATE; Ethyl a-ethoxalylpropionic acid; Diethyl 2-methyl-3-oxosuccinate; Diethyl methyloxobutanedioate; Diethyl 2-methyloxosuccinate; Ethyl α-ethoxalylpropionate; Ethyl a-ethoxalylpropionate; Diethyl oxalpropionic acid; ethyl ethoxalylpropionate; Diethyl oxalpropionate; Diethyl 2-methyl-3-oxosuccinate; Diethyl 2-methyl-3-oxosuccinate



数据库引用编号

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1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

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