Ethyl salicylate (BioDeep_00000020708)

   

human metabolite Endogenous


代谢物信息卡片


Benzoic acid, 2-hydroxy-, ethyl ester

化学式: C9H10O3 (166.062991)
中文名称: 水杨酸乙酯
谱图信息: 最多检出来源 Homo sapiens(feces) 96.17%

分子结构信息

SMILES: CCOC(=O)C1=C(O)C=CC=C1
InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3

描述信息

Ethyl salicylate, also known as fema 2458 or mesotol, belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. Ethyl salicylate is a sweet, balsam, and floral tasting compound. Ethyl salicylate has been detected, but not quantified, in several different foods, such as evergreen blackberries, alcoholic beverages, black elderberries, garden tomato, and fruits. Ethyl salicylate is the ester formed by the condensation of salicylic acid and ethanol. It is a clear liquid that is sparingly soluble in water, but soluble in alcohol and ether. It has a pleasant odor resembling wintergreen and is used in perfumery and artificial flavors.
Present in feijoa fruit, raspberry, tomato, various spirits, red wine, mountain papaya and cape gooseberry. Flavouring agent. Ethyl salicylate is found in many foods, some of which are black elderberry, garden tomato, fruits, and alcoholic beverages.
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

同义名列表

27 个代谢物同义名

Benzoic acid, 2-hydroxy-, ethyl ester; Benzoic acid, hydroxy-, ethyl ester; o-Hydroxybenzoic acid ethyl ester; 2-Hydroxybenzoic acid ethyl ester; Salicyclic acid, ethyl ester; Ethyl 2-hydroxybenzoic acid; Salicylic acid, ethyl ester; 2-Hydroxyethylbenzoic acid; O-(Ethoxycarbonyl)phenol; Methyl 2-hydroxybenzoate; Ethyl 2-hydroxybenzoate; Ethyl O-hydroxybenzoate; 2-Ethoxycarbonylphenol; Salicylic ethyl ester; Ethyl hydroxybenzoate; Ethyl salicylic acid; 2-Carboethoxyphenol; Ethyl salicyclate; Methyl Salicylate; Ethyl salicylate; Salicylic ether; FEMA 2458; Sal ether; Sal ethyl; Salstan; Salotan; Mesotol



数据库引用编号

11 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)

11 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

  • Xavier Poitou, Pascaline Redon, Alexandre Pons, Emilie Bruez, Laurent Delière, Axel Marchal, Céline Cholet, Laurence Geny-Denis, Philippe Darriet. Methyl salicylate, a grape and wine chemical marker and sensory contributor in wines elaborated from grapes affected or not by cryptogamic diseases. Food chemistry. 2021 Oct; 360(?):130120. doi: 10.1016/j.foodchem.2021.130120. [PMID: 34034050]
  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
  • Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology. 2019 11; 96(5):629-640. doi: 10.1124/mol.119.115964. [PMID: 31515284]
  • Tjeerd A L Snoeren, Iris F Kappers, Colette Broekgaarden, Roland Mumm, Marcel Dicke, Harro J Bouwmeester. Natural variation in herbivore-induced volatiles in Arabidopsis thaliana. Journal of experimental botany. 2010 Jun; 61(11):3041-56. doi: 10.1093/jxb/erq127. [PMID: 20488836]
  • Tjeerd A L Snoeren, Roland Mumm, Erik H Poelman, Yue Yang, Eran Pichersky, Marcel Dicke. The herbivore-induced plant volatile methyl salicylate negatively affects attraction of the parasitoid Diadegma semiclausum. Journal of chemical ecology. 2010 May; 36(5):479-89. doi: 10.1007/s10886-010-9787-1. [PMID: 20407809]
  • C Chen, L M Isabelle, W B Pickworth, J F Pankow. Levels of mint and wintergreen flavorants: smokeless tobacco products vs. confectionery products. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2010 Feb; 48(2):755-63. doi: 10.1016/j.fct.2009.12.015. [PMID: 20034536]
  • Nina E Fatouros, Foteini G Pashalidou, Wilma V Aponte Cordero, Joop J A van Loon, Roland Mumm, Marcel Dicke, Monika Hilker, Martinus E Huigens. Anti-aphrodisiac compounds of male butterflies increase the risk of egg parasitoid attack by inducing plant synomone production. Journal of chemical ecology. 2009 Nov; 35(11):1373-81. doi: 10.1007/s10886-009-9714-5. [PMID: 19949841]
  • Sandrine Mathieu, Valeriano Dal Cin, Zhangjun Fei, Hua Li, Peter Bliss, Mark G Taylor, Harry J Klee, Denise M Tieman. Flavour compounds in tomato fruits: identification of loci and potential pathways affecting volatile composition. Journal of experimental botany. 2009; 60(1):325-37. doi: 10.1093/jxb/ern294. [PMID: 19088332]
  • Wen Xu, Jin Sun, Tingting Zhang, Jingling Tang, Haiyan Li, Jinling Fang, Dawei Chen, Zhonggui He. A rapid HPLC/ESI-MS method for the quantitative determination of oridonin in rat plasma. Die Pharmazie. 2006 Sep; 61(9):757-9. doi: NULL. [PMID: 17020150]
  • T Kakkar, M Mayersohn. Simultaneous quantitative analysis of methyl salicylate, ethyl salicylate and salicylic acid from biological fluids using gas chromatography-mass spectrometry. Journal of chromatography. B, Biomedical sciences and applications. 1998 Oct; 718(1):69-75. doi: 10.1016/s0378-4347(98)00348-x. [PMID: 9832362]