Phenyl salicylate (BioDeep_00000009730)

 

Secondary id: BioDeep_00001871346

human metabolite Endogenous Volatile Flavor Compounds


代谢物信息卡片


Benzoic acid, 2-hydroxy-, phenyl ester

化学式: C13H10O3 (214.062991)
中文名称: 水杨酸苯酯
谱图信息: 最多检出来源 Bos taurus(endogenous) 33.33%

分子结构信息

SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
InChI: InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H

描述信息

Phenyl salicylate, also known as salol or musol, belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Phenyl salicylate is a mild, sweet, and balsam tasting compound. Phenyl salicylate is a potentially toxic compound. Phenyl salicylate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). It is hydrolyzed to salicylic acid . It is used for the treatment of inflammation in the lower urinary tract.
CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581
CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547
CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559
CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582
CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540
CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals
ATC code: G04BX12

同义名列表

24 个代谢物同义名

Benzoic acid, 2-hydroxy-, phenyl ester; 2-Hydroxy-benzoic acid phenyl ester; 2-Hydroxybenzoic acid, phenyl ester; 2-Hydroxybenzoic acid phenyl ester; 2-Hydroxy-benzoate phenyl ester; Fenylester kyseliny salicylove; Phenyl-2-hydroxybenzoic acid; Salicylic acid, phenyl ester; Salicylic acid phenyl ester; Phenyl-2-hydroxybenzoate; Phenyl 2-hydroxybenzoate; 2-Phenoxycarbonylphenol; Salicylate phenyl ester; Phenyl salicylic acid; Phenol salicylic acid; Phenyl salicylate; Phenol salicylate; Seesorb K 201; Seesorb 201; Salphenyl; Musol; Salol; Phenyl salicylate; Phenyl salicylate



数据库引用编号

21 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)

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。

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

  • 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]
  • Hitomi Ozaki, Kazumi Sugihara, Yuki Tamura, Chieri Fujino, Yoko Watanabe, Naoto Uramaru, Tomomichi Sone, Shigeru Ohta, Shigeyuki Kitamura. Hydrolytic metabolism of phenyl and benzyl salicylates, fragrances and flavoring agents in foods, by microsomes of rat and human tissues. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2015 Dec; 86(?):116-23. doi: 10.1016/j.fct.2015.08.024. [PMID: 26321725]
  • Cristina Botías, Raquel Martín-Hernández, Aránzazu Meana, Mariano Higes. Screening alternative therapies to control Nosemosis type C in honey bee (Apis mellifera iberiensis) colonies. Research in veterinary science. 2013 Dec; 95(3):1041-5. doi: 10.1016/j.rvsc.2013.09.012. [PMID: 24148868]
  • Maja Aleksic, Camilla K Pease, David A Basketter, Maria Panico, Howard R Morris, Anne Dell. Mass spectrometric identification of covalent adducts of the skin allergen 2,4-dinitro-1-chlorobenzene and model skin proteins. Toxicology in vitro : an international journal published in association with BIBRA. 2008 Aug; 22(5):1169-76. doi: 10.1016/j.tiv.2008.03.006. [PMID: 18440195]
  • D P Krickau, R H Mueller, J Thomsen. Degradation kinetics of hydrolytically susceptible drugs in O/W emulsions--effects of interfacial area and lecithin. International journal of pharmaceutics. 2007 Sep; 342(1-2):62-71. doi: 10.1016/j.ijpharm.2007.04.033. [PMID: 17597312]
  • Maja Aleksic, Camilla K Pease, David A Basketter, Maria Panico, Howard R Morris, Anne Dell. Investigating protein haptenation mechanisms of skin sensitisers using human serum albumin as a model protein. Toxicology in vitro : an international journal published in association with BIBRA. 2007 Jun; 21(4):723-33. doi: 10.1016/j.tiv.2007.01.008. [PMID: 17317089]
  • J R Vane, R M Botting. The mechanism of action of aspirin. Thrombosis research. 2003 Jun; 110(5-6):255-8. doi: 10.1016/s0049-3848(03)00379-7. [PMID: 14592543]
  • . . . . doi: . [PMID: 3888490]