2-Methylbutyl acetate (BioDeep_00000021446)

   

human metabolite


代谢物信息卡片


Acetic acid 2-methylbutyl ester

化学式: C7H14O2 (130.0994)
中文名称: 乙酸-2-甲基丁酯, 乙酸2-甲基丁酯
谱图信息: 最多检出来源 Homo sapiens(not specific) 3.85%

分子结构信息

SMILES: CC(=O)OC[C@H](CC)C
InChI: InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3

描述信息

2-Methylbutyl acetate, also known as active amyl acetate or fema 3644, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). 2-Methylbutyl acetate is a sweet, banana, and fruit tasting compound. 2-methylbutyl acetate is found, on average, in the highest concentration in allspices. 2-methylbutyl acetate has also been detected, but not quantified, in figs and pomes. This could make 2-methylbutyl acetate a potential biomarker for the consumption of these foods. The acetate ester of 2-methylbutan-1-ol.
Present in apple juice, flavouring ingredient. 2-Methylbutyl acetate is found in allspice, fig, and pomes.

同义名列表

18 个代谢物同义名

Acetic acid 2-methylbutyl ester; 1-Butanol, 2-methyl-, 1-acetate; 2-Methyl-1-butanol acetic acid; 1-Butanol, 2-methyl-, acetate; 2-Methyl-1-butyl acetic acid; 2-Methylbutanol acetic acid; Acetate 2-methylbutyl ester; 2-Methyl-1-butanol acetate; 2-Methylbutyl acetic acid; 2-Methyl-1-butyl acetate; 2-Methylbutanol acetate; β-methylbutyl acetate; 2-METHYLBUTYL ACETATE; 2-Methybutyl acetate; Active amyl acetate; 2-Methylbutylacetat; FEMA 3644; 2-Methylbutyl acetate



数据库引用编号

9 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)

5 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。

亚细胞结构定位 关联基因列表


文献列表

  • Xiaofen Du, Anne Plotto, Mei Song, James Olmstead, Russell Rouseff. Volatile composition of four southern highbush blueberry cultivars and effect of growing location and harvest date. Journal of agricultural and food chemistry. 2011 Aug; 59(15):8347-57. doi: 10.1021/jf201184m. [PMID: 21721574]
  • Itay Gonda, Einat Bar, Vitaly Portnoy, Shery Lev, Joseph Burger, Arthur A Schaffer, Ya'akov Tadmor, Shimon Gepstein, James J Giovannoni, Nurit Katzir, Efraim Lewinsohn. Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit. Journal of experimental botany. 2010 Feb; 61(4):1111-23. doi: 10.1093/jxb/erp390. [PMID: 20065117]
  • Jason W Johnston, Kularajathaven Gunaseelan, Paul Pidakala, Mindy Wang, Robert J Schaffer. Co-ordination of early and late ripening events in apples is regulated through differential sensitivities to ethylene. Journal of experimental botany. 2009; 60(9):2689-99. doi: 10.1093/jxb/erp122. [PMID: 19429839]
  • Edwige J F Souleyre, David R Greenwood, Ellen N Friel, Sakuntala Karunairetnam, Richard D Newcomb. An alcohol acyl transferase from apple (cv. Royal Gala), MpAAT1, produces esters involved in apple fruit flavor. The FEBS journal. 2005 Jun; 272(12):3132-44. doi: 10.1111/j.1742-4658.2005.04732.x. [PMID: 15955071]
  • Alexander B Filonow. Germination and adhesion of fungal conidia on polycarbonate membranes and on apple fruit exposed to mycoactive acetate esters. Canadian journal of microbiology. 2003 Feb; 49(2):130-8. doi: 10.1139/w03-019. [PMID: 12718401]
  • Jinhe Bai, Robert D Hagenmaier, Elizabeth A Baldwin. Volatile response of four apple varieties with different coatings during marketing at room temperature. Journal of agricultural and food chemistry. 2002 Dec; 50(26):7660-8. doi: 10.1021/jf020543n. [PMID: 12475286]
  • Ana G Pérez, Raquel Olías, Pilar Luaces, Carlos Sanz. Biosynthesis of strawberry aroma compounds through amino acid metabolism. Journal of agricultural and food chemistry. 2002 Jul; 50(14):4037-42. doi: 10.1021/jf011465r. [PMID: 12083879]
  • A B Filonow. Mycoactive acetate esters from apple fruit stimulate adhesion and germination of conidia of the gray mold fungus. Journal of agricultural and food chemistry. 2002 May; 50(11):3137-42. doi: 10.1021/jf011390r. [PMID: 12009975]