Ethyl nonanoate (BioDeep_00000017448)

 

Secondary id: BioDeep_00000623345

human metabolite PANOMIX_OTCML-2023 Endogenous natural product


代谢物信息卡片


Ethyl nonanoate, analytical standard

化学式: C11H22O2 (186.162)
中文名称: 壬酸乙酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 78.74%

分子结构信息

SMILES: CCCCCCCCC(=O)OCC
InChI: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3

描述信息

Ethyl nonanoate, also known as ethyl pelargonate or fema 2447, is a fatty acid ethyl ester of nonanoic acid. It has a role as a metabolite. It derives from a nonanoic acid. Ethyl nonanoate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl nonanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Ethyl nonanoate is a fatty acid ethyl ester of nonanoic acid. It has a role as a metabolite. It is functionally related to a nonanoic acid.
Ethyl nonanoate is a natural product found in Aristolochiaceae, Polygala senega, and other organisms with data available.
Ethyl nonanoate is a metabolite found in or produced by Saccharomyces cerevisiae.
Ethyl nonanoate is a flavouring ingredient. It is found in pineapple, banana and apple.
A fatty acid ethyl ester of nonanoic acid.
Ethyl nonanoate is a rich ester in spirits and its presence is commonly related to the pleasant fruity bouquet of alcoholic beverages. Ethyl nonanoate is an endogenous metabolite[1].
Ethyl nonanoate is a rich ester in spirits and its presence is commonly related to the pleasant fruity bouquet of alcoholic beverages. Ethyl nonanoate is an endogenous metabolite[1].

同义名列表

31 个代谢物同义名

Ethyl nonanoate, analytical standard; Ethyl nonanoate, natural, 98\\%, FG; Ethyl nonylate; Ethyl pelargonate; Ethyl nonanoate, >=98\\%, FCC, FG; Pelargonic Acid Ethyl Ester; Nonanoic acid, ethyl ester; Nonanoic acid-ethyl ester; Ethyl nonanoate (natural); Nonanoic acid ethyl ester; Nonylic Acid Ethyl Ester; ETHYL PELARGONATE [INCI]; Pelargonate ethyl ester; ETHYL PELARGONATE [MI]; ETHYL NONANOATE [FHFI]; ETHYL NONANOATE [FCC]; Ethyl nonanoate, 97\\%; Ethyl pelargonic acid; Nonanoate ethyl ester; Ethyl nonanoic acid; Ethyl pelargonate; Ethyl n-nonanoate; Ethyl nonanoate; ethylnonanoate; Ethyl nonylate; Tox21_302588; Wine ether; AI3-13187; WLN: 8VO2; FEMA 2447; SFE 11:0; Ethyl nonanoate



数据库引用编号

15 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)

20 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

  • Andre F Cruz, Chantal Hamel, Chao Yang, Tomoko Matsubara, Yantai Gan, Asheesh K Singh, Kousaku Kuwada, Takaaki Ishii. Phytochemicals to suppress Fusarium head blight in wheat-chickpea rotation. Phytochemistry. 2012 Jun; 78(?):72-80. doi: 10.1016/j.phytochem.2012.03.003. [PMID: 22520499]
  • Henriette de Loor, Hylke de Jonge, Kristin Verbeke, Yves Vanrenterghem, Dirk R Kuypers. A highly sensitive liquid chromatography tandem mass spectrometry method for simultaneous quantification of midazolam, 1'-hydroxymidazolam and 4-hydroxymidazolam in human plasma. Biomedical chromatography : BMC. 2011 Oct; 25(10):1091-8. doi: 10.1002/bmc.1576. [PMID: 21204116]
  • John E Mendelson, Jeremy R Coyle, Juan Carlos Lopez, Matthew J Baggott, Keith Flower, E Thomas Everhart, Thomas A Munro, Gantt P Galloway, Bruce M Cohen. Lack of effect of sublingual salvinorin A, a naturally occurring kappa opioid, in humans: a placebo-controlled trial. Psychopharmacology. 2011 Apr; 214(4):933-9. doi: 10.1007/s00213-010-2103-5. [PMID: 21140258]