M-toluic Acid (BioDeep_00000003403)

 

Secondary id: BioDeep_00001868377

human metabolite


代谢物信息卡片


beta-Bethylbenzoic acid

化学式: C8H8O2 (136.0524268)
中文名称: 间甲基苯甲酸
谱图信息: 最多检出来源 Homo sapiens(blood) 0.4%

分子结构信息

SMILES: Cc(c1)cc(cc1)C(O)=O
InChI: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)

描述信息

M-toluic Acid, also known as beta-Bethylbenzoic acid or m-Toluate, is classified as a member of the Benzoic acids. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. M-toluic Acid is considered to be slightly soluble (in water) and acidic
CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4069; ORIGINAL_PRECURSOR_SCAN_NO 4066
CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3095; ORIGINAL_PRECURSOR_SCAN_NO 3093
CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3109; ORIGINAL_PRECURSOR_SCAN_NO 3105
CONFIDENCE standard compound; INTERNAL_ID 802; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3097; ORIGINAL_PRECURSOR_SCAN_NO 3094
KEIO_ID M018

同义名列表

6 个代谢物同义名

beta-Bethylbenzoic acid; 3-Methylbenzoic acid; m-Methylbenzoate; 3-Methylbenzoate; m-Toluylic acid; M-toluic Acid



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

  • Petra Hedbavna, Stephen A Rolfe, Wei E Huang, Steven F Thornton. Biodegradation of phenolic compounds and their metabolites in contaminated groundwater using microbial fuel cells. Bioresource technology. 2016 Jan; 200(?):426-34. doi: 10.1016/j.biortech.2015.09.092. [PMID: 26512868]
  • Xiao Wu, Sébastien Monchy, Safiyh Taghavi, Wei Zhu, Juan Ramos, Daniel van der Lelie. Comparative genomics and functional analysis of niche-specific adaptation in Pseudomonas putida. FEMS microbiology reviews. 2011 Mar; 35(2):299-323. doi: 10.1111/j.1574-6976.2010.00249.x. [PMID: 20796030]
  • Minna M Jussila, German Jurgens, Kristina Lindström, Leena Suominen. Genetic diversity of culturable bacteria in oil-contaminated rhizosphere of Galega orientalis. Environmental pollution (Barking, Essex : 1987). 2006 Jan; 139(2):244-57. doi: 10.1016/j.envpol.2005.05.013. [PMID: 16055251]
  • A W Abu-Qare, M B Abou-Donia. Simultaneous determination of malathion, permethrin, DEET (N,N-diethyl-m-toluamide), and their metabolites in rat plasma and urine using high performance liquid chromatography. Journal of pharmaceutical and biomedical analysis. 2001 Sep; 26(2):291-9. doi: 10.1016/s0731-7085(01)00407-1. [PMID: 11470206]
  • A W Abu-Qare, M B Abou-Donia. High performance liquid chromatographic determination of diazinon, permethrin, DEET (N, N-diethyl-m-toluamide), and their metabolites in rat plasma and urine. Fresenius' journal of analytical chemistry. 2001 Jun; 370(4):403-7. doi: 10.1007/s002160100780. [PMID: 11495064]
  • A W Abu-Qare, M B Abou-Donia. Development of a high-performance liquid chromatographic method for the quantification of chlorpyrifos, pyridostigmine bromide, N,N-diethyl-m-toluamide and their metabolites in rat plasma and urine. Journal of chromatography. B, Biomedical sciences and applications. 2001 Apr; 754(2):533-8. doi: 10.1016/s0378-4347(01)00028-7. [PMID: 11339298]
  • I Sarand, S Timonen, T Koivula, R Peltola, K Haahtela, R Sen, M Romantschuk. Tolerance and biodegradation of m-toluate by Scots pine, a mycorrhizal fungus and fluorescent pseudomonads individually and under associative conditions. Journal of applied microbiology. 1999 May; 86(5):817-26. doi: 10.1046/j.1365-2672.1999.00731.x. [PMID: 10347877]
  • M Sakurai, M Ohsako, M Nagano, C Nakamura, O Tsuzuki, M Ichikawa, Y Matsumoto. [Effect of human serum albumin on transport of drugs through human erythrocyte membranes]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan. 1996 Aug; 116(8):630-8. doi: 10.1248/yakushi1947.116.8_630. [PMID: 8831264]
  • M Jakubowski, P Kostrzewski. Excretion of methylbenzoic acid in urine as a result of single and combined exposure to m-xylene. Polish journal of occupational medicine. 1989; 2(3):238-47. doi: . [PMID: 2489427]
  • A Marzo, A Reiner, N Monti, M Ripamonti. High-performance liquid chromatographic evaluation of salicyloyl pyridixol and systemic metabolites in biological samples. Journal of chromatography. 1988 Dec; 459(?):325-9. doi: 10.1016/s0021-9673(01)82043-4. [PMID: 3243908]
  • M M Ames, C D Selassie, L C Woodson, J A Van Loon, C Hansch, R M Weinshilboum. Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates. Journal of medicinal chemistry. 1986 Mar; 29(3):354-8. doi: 10.1021/jm00153a009. [PMID: 3950915]