2-Phenylethyl acetate (BioDeep_00000003166)

 

Secondary id: BioDeep_00000869378, BioDeep_00001871753

human metabolite


代谢物信息卡片


Acetic acid beta -phenylethyl ester

化学式: C10H12O2 (164.0837252)
中文名称: 2-苯基乙酸乙酯
谱图信息: 最多检出来源 Viridiplantae(plant) 0.42%

分子结构信息

SMILES: c1(ccccc1)CCOC(=O)C
InChI: InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

描述信息

2-Phenylethyl acetate, also known as 2-phenethyl acetic acid or benzylcarbinyl acetate, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 2-Phenylethyl acetate is a sweet, floral, and fruity tasting compound. 2-Phenylethyl acetate is found, on average, in the highest concentration within ceylon cinnamons and cloves. 2-Phenylethyl acetate has also been detected, but not quantified, in several different foods, such as butternuts, eggplants, turmerics, radish (var.), and pili nuts. This could make 2-phenylethyl acetate a potential biomarker for the consumption of these foods. The acetate ester of 2-phenylethanol.
Flavouring ingredient. 2-Phenylethyl acetate is found in many foods, some of which are acerola, prickly pear, summer grape, and sweet orange.

同义名列表

40 个代谢物同义名

Acetic acid beta -phenylethyl ester; Acetic acid beta-phenylethyl ester; Acetic acid, 2-phenylethyl ester; Acetic acid b-phenylethyl ester; Acetic acid β-phenylethyl ester; Acetate beta-phenylethyl ester; Phenethyl alcohol, acetic acid; Acetic acid, phenethyl ester; Acetate, 2-phenylethyl ester; beta-Phenylethyl acetic acid; Ethanol, 2-phenyl-, acetate; Acetate β-phenylethyl ester; Acetate b-phenylethyl ester; beta-Phenethyl acetic acid; Benzylcarbinyl acetic acid; 2-Phenylethyl acetate, 9ci; Phenethyl alcohol, acetate; Β-phenylethyl acetic acid; beta -Phenylethyl acetate; b-Phenylethyl acetic acid; 2-Phenylethyl acetic acid; Acetate, phenethyl ester; Phenylethyl acetate-beta; beta-Phenylethyl acetate; b-Phenethyl acetic acid; Β-phenethyl acetic acid; 2-Phenethyl acetic acid; beta -Phenethyl acetate; beta-Phenethyl acetate; Benzylcarbinyl acetate; 2-Phenylethyl acetate; Phenethyl acetic acid; Β-phenylethyl acetate; b-Phenylethyl acetate; b-Phenethyl acetate; 2-Phenethyl acetate; Phenylethyl acetate; Β-phenethyl acetate; Phenethyl acetate; FEMA 2857



数据库引用编号

14 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

33 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(32)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

17 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

  • Maja Veršić Bratinčević, Ana Bego, Ivana Nižetić Kosović, Maja Jukić Špika, Filipa Burul, Marijana Popović, Tonka Ninčević Runjić, Elda Vitanović. A Lifetime of a Dispenser-Release Rates of Olive Fruit Fly-Associated Yeast Volatile Compounds and Their Influence on Olive Fruit Fly (Bactrocera oleae Rossi) Attraction. Molecules (Basel, Switzerland). 2023 Mar; 28(6):. doi: 10.3390/molecules28062431. [PMID: 36985404]
  • Farrukh Baig, Kevin Farnier, Muhammad Ishtiaq, John Paul Cunningham. Volatiles produced by symbiotic yeasts improve trap catches of Carpophilus davidsoni (Coleoptera: Nitidulidae): an important pest of stone fruits in Australia. Journal of economic entomology. 2023 Mar; ?(?):. doi: 10.1093/jee/toad027. [PMID: 36881679]
  • Matilda Lindmark, Suresh Ganji, Erika A Wallin, Fredrik Schlyter, C Rikard Unelius. Semiochemicals produced by fungal bark beetle symbiont Endoconidiophora rufipennis and the discovery of an anti-attractant for Ips typographus. PloS one. 2023; 18(4):e0283906. doi: 10.1371/journal.pone.0283906. [PMID: 37023040]
  • Martina Havlikova, Tereza Bosakova, Georg Petschenka, Radomir Cabala, Alice Exnerova, Zuzana Bosakova. Analysis of defensive secretion of a milkweed bug Lygaeus equestris by 1D GC-MS and GC×GC-MS: sex differences and host-plant effect. Scientific reports. 2020 02; 10(1):3092. doi: 10.1038/s41598-020-60056-9. [PMID: 32080314]
  • Xu Qian, Yaran Liu, Guojun Zhang, Ailing Yan, Huiling Wang, Xiaoyue Wang, Qiuhong Pan, Haiying Xu, Lei Sun, Baoqing Zhu. Alcohol acyltransferase gene and ester precursors differentiate composition of volatile esters in three interspecific hybrids of Vitis labrusca × V. Vinifera during berry development period. Food chemistry. 2019 Oct; 295(?):234-246. doi: 10.1016/j.foodchem.2019.05.104. [PMID: 31174754]
  • Zuobing Xiao, Jing Luo, Yunwei Niu, Pinpin Wang, Ruolin Wang, Xiaoxin Sun. Olfactory impact of esters on rose essential oil floral alcohol aroma expression in model solution. Food research international (Ottawa, Ont.). 2019 02; 116(?):211-222. doi: 10.1016/j.foodres.2018.08.015. [PMID: 30716939]
  • Diana M Castañeda, Luis Miguel Pombo, Claudia Patricia Urueña, John Fredy Hernandez, Susana Fiorentino. A gallotannin-rich fraction from Caesalpinia spinosa (Molina) Kuntze displays cytotoxic activity and raises sensitivity to doxorubicin in a leukemia cell line. BMC complementary and alternative medicine. 2012 Apr; 12(?):38. doi: 10.1186/1472-6882-12-38. [PMID: 22490328]
  • Annick Dubois, Arnaud Remay, Olivier Raymond, Sandrine Balzergue, Aurélie Chauvet, Marion Maene, Yann Pécrix, Shu-Hua Yang, Julien Jeauffre, Tatiana Thouroude, Véronique Boltz, Marie-Laure Martin-Magniette, Stéphane Janczarski, Fabrice Legeai, Jean-Pierre Renou, Philippe Vergne, Manuel Le Bris, Fabrice Foucher, Mohammed Bendahmane. Genomic approach to study floral development genes in Rosa sp. PloS one. 2011; 6(12):e28455. doi: 10.1371/journal.pone.0028455. [PMID: 22194838]
  • Matthias Erb, Nicolas Foresti, Ted C J Turlings. A tritrophic signal that attracts parasitoids to host-damaged plants withstands disruption by non-host herbivores. BMC plant biology. 2010 Nov; 10(?):247. doi: 10.1186/1471-2229-10-247. [PMID: 21078181]
  • Ira Marton, Amir Zuker, Elena Shklarman, Vardit Zeevi, Andrey Tovkach, Suzy Roffe, Marianna Ovadis, Tzvi Tzfira, Alexander Vainstein. Nontransgenic genome modification in plant cells. Plant physiology. 2010 Nov; 154(3):1079-87. doi: 10.1104/pp.110.164806. [PMID: 20876340]
  • Yi-Xin Seow, Peter K C Ong, Shao-Quan Liu. Production of flavour-active methionol from methionine metabolism by yeasts in coconut cream. International journal of food microbiology. 2010 Oct; 143(3):235-40. doi: 10.1016/j.ijfoodmicro.2010.08.003. [PMID: 20805008]
  • John-Tung Chien, Da-Jung Hsu, Baskaran Stephen Inbaraj, Bing-Huei Chen. Integral kinetic model for studying quercetin degradation and oxidation as affected by cholesterol during heating. International journal of molecular sciences. 2010 Jul; 11(8):2805-20. doi: 10.3390/ijms11082805. [PMID: 21152275]
  • Inna Guterman, Tania Masci, Xinlu Chen, Florence Negre, Eran Pichersky, Natalia Dudareva, David Weiss, Alexander Vainstein. Generation of phenylpropanoid pathway-derived volatiles in transgenic plants: rose alcohol acetyltransferase produces phenylethyl acetate and benzyl acetate in petunia flowers. Plant molecular biology. 2006 Mar; 60(4):555-63. doi: 10.1007/s11103-005-4924-x. [PMID: 16525891]
  • Junwei Zhu, Kye-Chung Park, Thomas C Baker. Identification of odors from overripe mango that attract vinegar flies, Drosophila melanogaster. Journal of chemical ecology. 2003 Apr; 29(4):899-909. doi: 10.1023/a:1022931816351. [PMID: 12775150]
  • Moshe Shalit, Inna Guterman, Hanne Volpin, Einat Bar, Tal Tamari, Naama Menda, Zach Adam, Dani Zamir, Alexander Vainstein, David Weiss, Eran Pichersky, Efraim Lewinsohn. Volatile ester formation in roses. Identification of an acetyl-coenzyme A. Geraniol/Citronellol acetyltransferase in developing rose petals. Plant physiology. 2003 Apr; 131(4):1868-76. doi: 10.1104/pp.102.018572. [PMID: 12692346]
  • Sandrine Gouinguené, Hans Alborn, Ted C J Turling. Induction of volatile emissions in maize by different larval instars of Spodoptera littoralis. Journal of chemical ecology. 2003 Jan; 29(1):145-62. doi: 10.1023/a:1021984715420. [PMID: 12647859]