Methylacetoacetic acid (BioDeep_00000018327)

 

Secondary id: BioDeep_00000405240

human metabolite PANOMIX_OTCML-2023 Endogenous BioNovoGene_Lab2019


代谢物信息卡片


3-oxo-Butanoic acid methyl ester

化学式: C5H8O3 (116.0473418)
中文名称: 乙酰乙酸甲酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 87.5%

分子结构信息

SMILES: CC(=O)CC(=O)OC
InChI: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

描述信息

Methylacetoacetic acid, also known as 3-oxo-butanoate or methyl acetylacetate, belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom. Methylacetoacetic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Methylacetoacetic acid is a citrus, fresh, and fruity tasting compound. Methylacetoacetic acid has been identified in the urine of patients with an inherited deficiency of propionyl-CoA carboxylase (PMID 630060), and after isoleucine loading in the diagnosis of 2-methylacetoacetyl-CoA thiolase deficiency.
Methylacetoacetic acid has been identified in the urine of patients with an inherited deficiency of propionyl-CoA carboxylase (PMID 630060), and after isoleucine loading in the diagnosis of 2-methylacetoacetyl-CoA thiolase deficiency. (PMID 1861461) [HMDB]
Methyl acetylacetate is an endogenous metabolite.
Methyl acetylacetate is an endogenous metabolite.

同义名列表

19 个代谢物同义名

3-oxo-Butanoic acid methyl ester; 3-Oxobutanoic acid methyl ester; 3-Oxobutyric acid methyl ester; Acetoacetic acid methyl ester; Methyl 3-oxobutanoic acid; 1-Methoxybutane-1,3-dione; Acetoacetate methyl ester; Acetoacetic methyl ester; Methylacetoacetic acid; Methyl acetylacetonate; Methyl 3-oxobutanoate; Methyl acetylacetate; Methyl 3-oxobutyrate; METHYL ACETOACETATE; 3-oxo-butanoic acid; 3-Oxobutanoic acid; Methylacetoacetate; 3-oxo-Butanoate; 3-Oxobutanoate



数据库引用编号

11 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

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。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Yu Hong, Hong-Ying Hu, Feng-Min Li. Physiological and biochemical effects of allelochemical ethyl 2-methyl acetoacetate (EMA) on cyanobacterium Microcystis aeruginosa. Ecotoxicology and environmental safety. 2008 Oct; 71(2):527-34. doi: 10.1016/j.ecoenv.2007.10.010. [PMID: 18054385]
  • Feng-min Li, Hong-ying Hu, Yun-xiao Chong, Yu-jie Men, Mei-ting Guo. [Effects of allelochemical EMA isolated from Phragmites communis on algal cell membrane lipid and ultrastructure]. Huan jing ke xue= Huanjing kexue. 2007 Jul; 28(7):1534-8. doi: ". [PMID: 17891965]
  • J E Buttery, S Stuart, P R Pannall. An improved direct method for the measurement of urinary delta-aminolevulinic acid. Clinical biochemistry. 1995 Aug; 28(4):477-80. doi: 10.1016/0009-9120(95)00025-5. [PMID: 8521606]
  • S Aramaki, D Lehotay, L Sweetman, W L Nyhan, S C Winter, B Middleton. Urinary excretion of 2-methylacetoacetate, 2-methyl-3-hydroxybutyrate and tiglylglycine after isoleucine loading in the diagnosis of 2-methylacetoacetyl-CoA thiolase deficiency. Journal of inherited metabolic disease. 1991; 14(1):63-74. doi: 10.1007/bf01804391. [PMID: 1861461]