2-Methylpropyl acetate (BioDeep_00000022026)

   

human metabolite Endogenous


代谢物信息卡片


Acetic acid, 2-methylpropyl ester

化学式: C6H12O2 (116.08372519999999)
中文名称: 乙酸异丁酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=O)OCC(C)C
InChI: InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

描述信息

2-Methylpropyl acetate, also known as isobutyl acetate, 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). The acetate ester of isobutanol. 2-Methylpropyl acetate is a sweet, apple, and banana tasting compound. 2-Methylpropyl acetate has been detected, but not quantified, in several different foods, such as rosemaries, figs, pineapples, cocoa beans, and asian pears.
Found in fruits, brandies and fortified wines. It is used in flavouring agents.

同义名列表

35 个代谢物同义名

Acetic acid, 2-methylpropyl ester; beta-Methylpropyl ethanoic acid; 2-Methyl-1-propyl acetic acid; Acetate, 2-methylpropyl ester; Isobutylester kyseliny octove; 2-Methylpropyl ethanoic acid; Β-methylpropyl ethanoic acid; 2-Methyl-1-propanol, acetate; beta -Methylpropyl ethanoate; b-Methylpropyl ethanoic acid; 2-Methylpropyl acetate, 9ci; beta-Methylpropyl ethanoate; Acetic acid, isobutyl ester; 2-Methylpropyl acetic acid; 2-Methyl-1-propyl acetate; 2-Methylpropyl ethanoate; Β-methylpropyl ethanoate; Essigsaeureisobutylester; b-Methylpropyl ethanoate; Acetate, isobutyl ester; 2-Methylpropyl acetate; Acetic acid disobutyle; Isobutyl ethanoic acid; Isobutyl acetate, 8ci; Isobutyl acetate FCC; Isobutyl acetic acid; I-butyl acetic acid; Acetate disobutyle; Isobutyl ethanoate; ISOBUTYL ACETATE; I-butyl acetate; Isobutylacetate; Isobutylacetat; Isobutylazetat; FEMA 2175



数据库引用编号

10 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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Plant Reactome(0)

INOH(0)

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7 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

  • 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]
  • Sandrine Mathieu, Valeriano Dal Cin, Zhangjun Fei, Hua Li, Peter Bliss, Mark G Taylor, Harry J Klee, Denise M Tieman. Flavour compounds in tomato fruits: identification of loci and potential pathways affecting volatile composition. Journal of experimental botany. 2009; 60(1):325-37. doi: 10.1093/jxb/ern294. [PMID: 19088332]
  • Bengu Cobanoglu, Ibrahim H Ozercan, M Resat Ozercan, Orhan Yalcin. The effect of inhaling thinner and/or cigarette smoke on rat kidneys. Inhalation toxicology. 2007 Mar; 19(3):303-8. doi: 10.1080/08958370601141890. [PMID: 17365033]
  • Bayram Yilmaz, Sinan Canpolat, Suleyman Sandal, Nusret Akpolat, Selim Kutlu, Necip Ilhan, Haluk Kelestimur. Paint thinner exposure inhibits testosterone synthesis and secretion in a reversible manner in the rat. Reproductive toxicology (Elmsford, N.Y.). 2006 Nov; 22(4):791-6. doi: 10.1016/j.reprotox.2006.08.002. [PMID: 16978833]
  • G Zastrow, S Günther, W Postel, A Görg, H A Diehl, E H Jansen. Serum proteins of rats exposed to organic solvents examined by horizontal two-dimensional electrophoresis with an immobilized pH gradient in the first dimension. Electrophoresis. 1990 Aug; 11(8):655-7. doi: 10.1002/elps.1150110815. [PMID: 2289468]