cis-3-Hexenyl propanoate (BioDeep_00000035595)

   

human metabolite Volatile Flavor Compounds


代谢物信息卡片


beta ,Laquo gammaraquo -hexenyl propanoate, cis

化学式: C9H16O2 (156.1150236)
中文名称: 顺式-3-己烯基丙酸酯, 顺式-3-己烯丙酸酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCC=CCCOC(=O)CC
InChI: InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-

描述信息

cis-3-Hexenyl propanoate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters 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). cis-3-Hexenyl propanoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). cis-3-Hexenyl propanoate is used as a food additive (EAFUS: Everything Added to Food in the United States). cis-3-Hexenyl propanoate is an apple-, fresh-, and fruity-tasting compound found in fruits, herbs, spices, and tea, which makes cis-3-hexenyl propanoate a potential biomarker for the consumption of these food products. cis-3-Hexenyl propanoate is present in thyme, black tea, and mango and is a flavouring ingredient in baked goods, candies, etc.
Cis-3-hexenyl propanoate is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters 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). Cis-3-hexenyl propanoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-3-hexenyl propanoate is an apple, fresh, and fruity tasting compound found in fruits, herbs and spices, and tea, which makes cis-3-hexenyl propanoate a potential biomarker for the consumption of these food products.

同义名列表

27 个代谢物同义名

beta ,Laquo gammaraquo -hexenyl propanoate, cis; Propanoic acid, (Z)-3-hexenyl ester; Propionic acid cis-3-hexenyl ester; (3Z)-Hex-3-en-1-yl propanoic acid; (3Z)-hex-3-en-1-yl propanoate; beta,gamma-Hexenyl propanoate; Hex-cis-3-enyl propionic acid; 1-Propanoate(3Z)-3-hexen-1-ol; cis-3-Hexenyl propanoic acid; cis-beta -Hexenyl propionate; (Z)-3-Hexen-1-ol, propanoate; Propanoate(3Z)-3-hexen-1-ol; cis-beta-Hexenyl propionate; Propanoate(Z)-3-hexen-1-ol; Propionate(Z)-3-hexen-1-ol; cis-3-Hexenyl N-propionate; Is-3-hexenyl N-propionate; Hex-cis-3-enyl propionate; (Z)-Hex-3-enyl propionate; (3Z)-3-Hexenyl propionate; (Z)-3-Hexenyl propanoate; cis-3-Hexenyl propanoate; cis-3-hexenyl propionate; (Z)-3-Hexenyl propionate; 3-Hexenyl propionate; FEMA 3933; cis-3-Hexenyl propionate



数据库引用编号

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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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1 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。

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