Methyl hexanoate (BioDeep_00000020827)

 

Secondary id: BioDeep_00000619609, BioDeep_00000863319

human metabolite Endogenous


代谢物信息卡片


Methyl ester OF hexanoic acid

化学式: C7H14O2 (130.0994)
中文名称: 己酸甲酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCC(=O)OC
InChI: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

描述信息

Methyl hexanoate, also known as methyl caproate or methyl hexoic acid, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Methyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Present in wine grapes, melon, raspberry, blackberry, plum, quince, apple brandy, wines, Bourbon vanilla, coffee, black tea, potato, tomato, cheeses, rye bread, meats and other foodstuffs. Flavouring agent. Methyl hexanoate is found in many foods, some of which are milk and milk products, fruits, pineapple, and apple.

同义名列表

24 个代谢物同义名

Methyl ester OF hexanoic acid; Hexanoic acid, methyl ester; N-Caproic acid methyl ester; Hexanoic acid methyl ester; Caproic acid, methyl ester; Hexanoic acid,methyl ester; Caproic acid methyl ester; Hexanoate, methyl ester; Caproate, methyl ester; Methyl N-hexanoic acid; Methyl hexanoic acid; Methyl capronic acid; Methyl hexylic acid; Methyl caproic acid; Methyl hexoic acid; Methyl N-hexanoate; METHYL HEXANOATE; Methyl capronate; Methyl N-hexoate; Methyl caproate; Methyl hexylate; Methyl hexoate; FEMA 2708; Methyl hexanoate



数据库引用编号

13 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)

22 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

  • Yifan Jiang, Guanhua Liu, Wanbo Zhang, Chi Zhang, Xinlu Chen, Yuchu Chen, Cuiwei Yu, Dongbei Yu, Jianyu Fu, Feng Chen. Biosynthesis and emission of methyl hexanoate, the major constituent of floral scent of a night-blooming water lily Victoriacruziana. Phytochemistry. 2021 Nov; 191(?):112899. doi: 10.1016/j.phytochem.2021.112899. [PMID: 34481346]
  • Takashi Matsuo, Shigeru Sugaya, Jyunichiro Yasukawa, Toshiro Aigaki, Yoshiaki Fuyama. Odorant-binding proteins OBP57d and OBP57e affect taste perception and host-plant preference in Drosophila sechellia. PLoS biology. 2007 May; 5(5):e118. doi: 10.1371/journal.pbio.0050118. [PMID: 17456006]
  • Perla Relkin, Marjorie Fabre, Elisabeth Guichard. Effect of fat nature and aroma compound hydrophobicity on flavor release from complex food emulsions. Journal of agricultural and food chemistry. 2004 Oct; 52(20):6257-63. doi: 10.1021/jf049477a. [PMID: 15453696]
  • Keith Klesk, Michael Qian, Robert R Martin. Aroma extract dilution analysis of cv. Meeker (Rubus idaeus L.) red raspberries from Oregon and Washington. Journal of agricultural and food chemistry. 2004 Aug; 52(16):5155-61. doi: 10.1021/jf0498721. [PMID: 15291490]
  • 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]
  • Supriyadi, Masayuki Suzuki, Shuiqin Wu, Naomi Tomita, Akira Fujita, Naoharu Watanabe. Biogenesis of volatile methyl esters in snake fruit (Salacca edulis, Reinw) cv. Pondoh. Bioscience, biotechnology, and biochemistry. 2003 Jun; 67(6):1267-71. doi: 10.1271/bbb.67.1267. [PMID: 12843652]
  • R Watson, C J Wright, T McBurney, A J Taylor, R S T Linforth. Influence of harvest date and light integral on the development of strawberry flavour compounds. Journal of experimental botany. 2002 Oct; 53(377):2121-9. doi: 10.1093/jxb/erf088. [PMID: 12324536]