Propyl acetate (BioDeep_00000022188)

 

Secondary id: BioDeep_00000618923

human metabolite Chemicals and Drugs


代谢物信息卡片


Acetic acid, N-propyl ester

化学式: C5H10O2 (102.068076)
中文名称: 乙酸正丙酯
谱图信息: 最多检出来源 Viridiplantae(plant) 0.09%

分子结构信息

SMILES: CCCOC(=O)C
InChI: InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3

描述信息

Propyl acetate, also known as 1-acetoxypropane or propyl ethanoate, belongs to the class of organic compounds known as carboxylic acid esters. These 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). It is formed by the esterification of acetic acid and 1-propanol (known as a condensation reaction), often via Fischer–Speier esterification, with sulfuric acid as a catalyst and water produced as a byproduct. This clear, colorless liquid is known by its characteristic odor of pears. Propyl acetate is a drug. Propyl acetate is a bitter, celery, and fruity tasting compound. It has been detected, but not quantified, in several different foods, such as muskmelons, figs, apples, pineapples, and cocoa beans. Due to this fact, it is commonly used in fragrances and as a flavor additive. Propyl acetate has been found to be associated with the diseases such as nonalcoholic fatty liver disease; also propyl acetate has been linked to the inborn metabolic disorders including celiac disease.
Flavouring agent. Propyl acetate is found in many foods, some of which are fig, apple, papaya, and cocoa bean.

同义名列表

14 个代谢物同义名

Acetic acid, N-propyl ester; Acetic acid N-propyl ester; Acetic acid, propyl ester; Acetic acid,propyl ester; Propyl acetate, ion (1-); Propyl ethanoic acid; N-Propyl acetic acid; Propyl acetic acid; N-Propyl ethanoate; Propyl ethanoate; 1-Acetoxypropane; N-Propyl acetate; 1-Propyl acetate; Propyl acetate



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(1)

PlantCyc(1)

代谢反应

116 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(115)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

4 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。



文献列表

  • Xiuqi Sun, Anbang Zhang, Bo Pang, Yuanhua Wu, Jingyu Shi, Ning Zhang, Tao Ye. Electroacupuncture pretreatment alleviates spasticity after stroke in rats by inducing the NF-κB/NLRP3 signaling pathway and the gut-brain axis. Brain research. 2023 Oct; 1822(?):148643. doi: 10.1016/j.brainres.2023.148643. [PMID: 37884180]
  • Jason W Johnston, Kularajathaven Gunaseelan, Paul Pidakala, Mindy Wang, Robert J Schaffer. Co-ordination of early and late ripening events in apples is regulated through differential sensitivities to ethylene. Journal of experimental botany. 2009; 60(9):2689-99. doi: 10.1093/jxb/erp122. [PMID: 19429839]
  • Lan-Chun Nie, Jian-She Sun, Bao Di. [Changes in amino acid and fatty acid contents as well as activity of some related enzymes in apple fruit during aroma production]. Zhi wu sheng li yu fen zi sheng wu xue xue bao = Journal of plant physiology and molecular biology. 2005 Dec; 31(6):663-7. doi: . [PMID: 16361796]
  • Alexander B Filonow. Germination and adhesion of fungal conidia on polycarbonate membranes and on apple fruit exposed to mycoactive acetate esters. Canadian journal of microbiology. 2003 Feb; 49(2):130-8. doi: 10.1139/w03-019. [PMID: 12718401]
  • Saskia M van Ruth, Carmel King, Persephoni Giannouli. Influence of lipid fraction, emulsifier fraction, and mean particle diameter of oil-in-water emulsions on the release of 20 aroma compounds. Journal of agricultural and food chemistry. 2002 Apr; 50(8):2365-71. doi: 10.1021/jf011072s. [PMID: 11929298]
  • V K Rudzit, V K Bumeĭster, E E Lerkh, Zh A Bol'shevich. [Effect of hypercapnia on tyrosine and tryptophan metabolism]. Biulleten' eksperimental'noi biologii i meditsiny. 1976; 81(4):416-8. doi: NULL. [PMID: 6098]
  • I M Nilsson, S E Bergentz, U Hedner, K Kullenberg. Gastric fibrinolysis. Thrombosis et diathesis haemorrhagica. 1975 Nov; 34(2):409-18. doi: 10.1055/s-0038-1651400. [PMID: 807]
  • F R DOMER, W PINTO-SCOGNAMIGLIO. EFFECT OF BETA-DIETHYLAMINOETHYL DIPHENYL-N-PROPYL ACETATE (SKF 525-A) ON THE PLASMA CONCENTRATION OF C14-LABELED NEUROMUSCULAR BLOCKERS. Journal of pharmaceutical sciences. 1964 Feb; 53(?):225-6. doi: 10.1002/jps.2600530228. [PMID: 14123973]