Ethyl hexanoate (BioDeep_00000019427)

   

human metabolite Endogenous natural product


代谢物信息卡片


Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide

化学式: C8H16O2 (144.115)
中文名称: 己酸乙酯
谱图信息: 最多检出来源 Homo sapiens(feces) 1.01%

分子结构信息

SMILES: CCCCCC(=O)OCC
InChI: InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3

描述信息

Ethyl hexanoate, also known as ethyl caproate or ethyl hexoic acid, is a fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol. It has a role as a metabolite. It is a fatty acid ethyl ester and a hexanoate ester. Ethyl hexanoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Found in many fruits, clove bud, corn oil, Camembert cheese, milk, fruit brandies, sparkling wine and Bourbon vanilla. It is used in perfumes and fruit flavours

同义名列表

26 个代谢物同义名

Hexanoic acid, ethyl ester, mixt. with soybean oil epoxide; Acetic acid, butyl-, ethyl ester; Ethyl ester OF hexanoic acid; Ethyl hexanoate (caproate); Hexanoic acid, ethyl ester; N-Caproic acid ethyl ester; Hexanoic acid ethyl ester; Ethyl butyl acetate (dot); Caproic acid ethyl ester; Ethyl ester OF hexanoate; Capronic ether absolute; Caproic acid ethylester; N-Caproate ethyl ester; Hexanoate ethyl ester; Caproate ethyl ester; Ethyl butyl acetate; Ethyl hexanoic acid; Ethyl caproic acid; Ethyl hexoic acid; Ethyl N-hexanoate; Ethyl N-hexanoat; Ethyl hexanoate; Ethyl caproate; Ethyl hexoate; FEMA 2439; Ethyl hexanoate



数据库引用编号

12 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)

91 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

  • Manli Luo, Xin Zhou, Huajun Sun, Qian Zhou, Wanying Ge, Yangyang Sun, Miaomiao Yao, Shujuan Ji. Insights into profiling of volatile ester and LOX-pathway related gene families accompanying post-harvest ripening of 'Nanguo' pears. Food chemistry. 2021 Jan; 335(?):127665. doi: 10.1016/j.foodchem.2020.127665. [PMID: 32738530]
  • Yuko Horii, Yoshiyuki Fujisaki, Yoshiko Misonou, Risa Fuyuki, Katsuya Nagai. Effects of ethyl hexanoate on activities of sympathetic nerves innervating the brown and white adipose tissues, body temperature, and plasma fatty acids. Neuroscience letters. 2020 10; 737(?):135319. doi: 10.1016/j.neulet.2020.135319. [PMID: 32846220]
  • Afroza Sultana, Hidefumi Yoshii. Kinetic study of controlled release of flavor compounds from spray-dried encapsulated yeast powder using dynamic vapor sorption-gas chromatography. Bioscience, biotechnology, and biochemistry. 2019 Apr; 83(4):738-746. doi: 10.1080/09168451.2018.1564618. [PMID: 30638143]
  • Afroza Sultana, Yusuke Tanaka, Yoshiya Fushimi, Hidefumi Yoshii. Stability and release behavior of encapsulated flavor from spray-dried Saccharomyces cerevisiae and maltodextrin powder. Food research international (Ottawa, Ont.). 2018 04; 106(?):809-816. doi: 10.1016/j.foodres.2018.01.059. [PMID: 29579990]
  • Jun-Jie Hou, Jian Guo, Jin-Mei Wang, Xiao-Quan Yang. Effect of interfacial composition and crumbliness on aroma release in soy protein/sugar beet pectin mixed emulsion gels. Journal of the science of food and agriculture. 2016 Oct; 96(13):4449-56. doi: 10.1002/jsfa.7656. [PMID: 26841309]
  • Peng-Fei Lu, Ling-Qiao Huang, Chen-Zhu Wang. Identification and field evaluation of pear fruit volatiles attractive to the oriental fruit moth, Cydia molesta. Journal of chemical ecology. 2012 Aug; 38(8):1003-16. doi: 10.1007/s10886-012-0152-4. [PMID: 22730107]
  • Martin N Andersson, Fredrik Schlyter, Sharon Rose Hill, Teun Dekker. What reaches the antenna? How to calibrate odor flux and ligand-receptor affinities. Chemical senses. 2012 Jun; 37(5):403-20. doi: 10.1093/chemse/bjs009. [PMID: 22362868]
  • Damian Frank, Ingrid Appelqvist, Udayasika Piyasiri, Tim J Wooster, Conor Delahunty. Proton transfer reaction mass spectrometry and time intensity perceptual measurement of flavor release from lipid emulsions using trained human subjects. Journal of agricultural and food chemistry. 2011 May; 59(9):4891-903. doi: 10.1021/jf104376b. [PMID: 21456620]
  • Cielo Pasay, Kate Mounsey, Graeme Stevenson, Rohan Davis, Larry Arlian, Marjorie Morgan, Diann Vyszenski-Moher, Kathy Andrews, James McCarthy. Acaricidal activity of eugenol based compounds against scabies mites. PloS one. 2010 Aug; 5(8):e12079. doi: 10.1371/journal.pone.0012079. [PMID: 20711455]
  • Jorge Toledo, Edi A Malo, Leopoldo Cruz-López, Julio C Rojas. Field evaluation of potential fruit-derived lures for Anastrepha obliqua (Diptera: Tephritidae). Journal of economic entomology. 2009 Dec; 102(6):2072-7. doi: 10.1603/029.102.0608. [PMID: 20069833]
  • Miriam González, Carlos Gaete-Eastman, Mónika Valdenegro, Carlos R Figueroa, Lida Fuentes, Raúl Herrera, María Alejandra Moya-León. Aroma development during ripening of Fragaria chiloensis fruit and participation of an alcohol acyltransferase (FcAAT1) gene. Journal of agricultural and food chemistry. 2009 Oct; 57(19):9123-32. doi: 10.1021/jf901693j. [PMID: 19731914]
  • Maria José Fabra, Alicia Hambleton, Pau Talens, Fréderic Debeaufort, Amparo Chiralt, Andrée Voilley. Aroma barrier properties of sodium caseinate-based films. Biomacromolecules. 2008 May; 9(5):1406-10. doi: 10.1021/bm701363p. [PMID: 18361517]
  • H J Giroux, V Perreault, M Britten. Characterization of hydrophobic flavor release profile in oil-in-water emulsions. Journal of food science. 2007 Mar; 72(2):S125-9. doi: 10.1111/j.1750-3841.2007.00271.x. [PMID: 17995853]
  • Leopoldo Cruz-López, Edi A Malo, Jorge Toledo, Armando Virgen, Alejandro Del Mazo, Julio C Rojas. A new potential attractant for Anastrepha obliqua from Spondias mombin fruits. Journal of chemical ecology. 2006 Feb; 32(2):351-65. doi: 10.1007/s10886-005-9006-7. [PMID: 16555133]
  • 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]
  • Paolo Emilio Tomei, Rita Elisabetta Uncini Manganelli, Guido Flamini, Pier Luigi Cioni, Ivano Morelli. Composition of the essential oil of Mentha microphylla from the Gennargentu Mountains (Sardinia, Italy). Journal of agricultural and food chemistry. 2003 Jun; 51(12):3614-7. doi: 10.1021/jf026091w. [PMID: 12769534]
  • Michelle E Carey, Tom Asquith, Robert S T Linforth, Andrew J Taylor. Modeling the partition of volatile aroma compounds from a cloud emulsion. Journal of agricultural and food chemistry. 2002 Mar; 50(7):1985-90. doi: 10.1021/jf011044+. [PMID: 11902944]
  • K Doyen, M Carey, R S Linforth, M Marin, A J Taylor. Volatile release from an emulsion: headspace and in-mouth studies. Journal of agricultural and food chemistry. 2001 Feb; 49(2):804-10. doi: 10.1021/jf000853a. [PMID: 11262033]