Methyl 2-methylbutyrate (BioDeep_00001873892)

代谢物信息卡片

Methyl 2-methylbutyrate

化学式: C6H12O2 (116.08372519999999)
中文名称: DL-2-甲基丁酸甲酯
谱图信息: 最多检出来源 () 0%

分子结构信息

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

描述信息

同义名列表

1 个代谢物同义名

Methyl 2-methylbutyrate

数据库引用编号

5 个数据库交叉引用编号

ChEBI: CHEBI:88538
PubChem: 13357
ChEMBL: CHEMBL2287316
CAS: 53955-81-0
CAS: 868-57-5

分类词条

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)

7 个相关的物种来源信息

4615 - Ananas comosus: 10.1021/JF60168A018
41067 - Aspergillus candidus: 10.1016/S0045-6535(99)00015-6
4312 - Corynocarpus laevigatus: 10.1080/0028825X.1984.10425264
1000421 - Nepeta nepetella: 10.1055/S-2007-969632
419116 - Nymphaea gardneriana: 10.1016/J.PHYTOCHEM.2014.04.007
2939662 - Nymphaea lasiophylla: 10.1016/J.PHYTOCHEM.2014.04.007
1082757 - Origanum syriacum: 10.1080/10412905.1991.9697923

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

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]
Ludmila V Roze, Anindya Chanda, Maris Laivenieks, Randolph M Beaudry, Katherine A Artymovich, Anna V Koptina, Deena W Awad, Dina Valeeva, Arthur D Jones, John E Linz. Volatile profiling reveals intracellular metabolic changes in Aspergillus parasiticus: veA regulates branched chain amino acid and ethanol metabolism. BMC biochemistry. 2010 Aug; 11(?):33. doi: 10.1186/1471-2091-11-33. [PMID: 20735852]
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]
Laurence J M Ducreux, Wayne L Morris, Ian M Prosser, Jenny A Morris, Michael H Beale, Frank Wright, Tom Shepherd, Glenn J Bryan, Pete E Hedley, Mark A Taylor. Expression profiling of potato germplasm differentiated in quality traits leads to the identification of candidate flavour and texture genes. Journal of experimental botany. 2008; 59(15):4219-31. doi: 10.1093/jxb/ern264. [PMID: 18987392]
Yukiko Tokitomo, Martin Steinhaus, Andrea Büttner, Peter Schieberle. Odor-active constituents in fresh pineapple (Ananas comosus [L.] Merr.) by quantitative and sensory evaluation. Bioscience, biotechnology, and biochemistry. 2005 Jul; 69(7):1323-30. doi: 10.1271/bbb.69.1323. [PMID: 16041138]
Christina Preston, Elke Richling, Sandra Elss, Markus Appel, Frank Heckel, Ariane Hartlieb, Peter Schreier. On-line gas chromatography combustion/pyrolysis isotope ratio mass spectrometry (HRGC-C/P-IRMS) of pineapple (Ananas comosus L. Merr.) volatiles. Journal of agricultural and food chemistry. 2003 Dec; 51(27):8027-31. doi: 10.1021/jf030540q. [PMID: 14690391]