2-Methylbenzoic acid (BioDeep_00000001678)
Secondary id: BioDeep_00000416057
human metabolite PANOMIX_OTCML-2023
代谢物信息卡片
化学式: C8H8O2 (136.0524)
中文名称: 邻甲基苯甲酸, 邻甲苯甲酸
谱图信息:
最多检出来源 Homo sapiens(feces) 33.42%
分子结构信息
SMILES: CC1=C(C=CC=C1)C(O)=O
InChI: InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
描述信息
o-Toluic acid, also 2-methylbenzoic acid, is an aromatic carboxylic acid, with formula (CH3)C6H4(COOH). -- Wikipedia; It is an isomer of p-toluic acid and m-toluic acid. -- Wikipedia
KEIO_ID T038
o-Toluic acid (2-Methylbenzoic acid) is a benzoic acid?substituted by a?methyl?group at position 2. O-Toluic acid plays a role as a xenobiotic metabolite.
同义名列表
数据库引用编号
24 个数据库交叉引用编号
- ChEBI: CHEBI:36632
- KEGG: C07215
- KEGGdrug: D77873
- PubChem: 8373
- HMDB: HMDB0002340
- Metlin: METLIN6632
- ChEMBL: CHEMBL114957
- Wikipedia: O-Toluic_acid
- foodb: FDB098186
- chemspider: 8070
- CAS: 25567-10-6
- CAS: 118-90-1
- MoNA: KO001911
- MoNA: KO001912
- MoNA: KO001910
- MoNA: KO001909
- PMhub: MS000000966
- ChEBI: CHEBI:28872
- PubChem: 9424
- PDB-CCD: 3SK
- 3DMET: B01082
- NIKKAJI: J10.074I
- medchemexpress: HY-41494
- KNApSAcK: 28872
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)
3 个相关的物种来源信息
- 3702 - Arabidopsis thaliana: 10.1073/PNAS.1403248111
- 9606 - Homo sapiens: -
- 9606 - Homo sapiens: 10.1007/S11306-015-0840-5
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
- Alex Van Moerkercke, Carlos S Galván-Ampudia, Julian C Verdonk, Michel A Haring, Robert C Schuurink. Regulators of floral fragrance production and their target genes in petunia are not exclusively active in the epidermal cells of petals.
Journal of experimental botany.
2012 May; 63(8):3157-71. doi:
10.1093/jxb/ers034. [PMID: 22345641] - Antje Klempien, Yasuhisa Kaminaga, Anthony Qualley, Dinesh A Nagegowda, Joshua R Widhalm, Irina Orlova, Ajit Kumar Shasany, Goro Taguchi, Christine M Kish, Bruce R Cooper, John C D'Auria, David Rhodes, Eran Pichersky, Natalia Dudareva. Contribution of CoA ligases to benzenoid biosynthesis in petunia flowers.
The Plant cell.
2012 May; 24(5):2015-30. doi:
10.1105/tpc.112.097519. [PMID: 22649270] - Inmaculada Andreu, Dmytro Neshchadin, Enrique Rico, Markus Griesser, Abdelouahid Samadi, Isabel M Morera, Georg Gescheidt, Miguel A Miranda. Probing lipid peroxidation by using linoleic acid and benzophenone.
Chemistry (Weinheim an der Bergstrasse, Germany).
2011 Aug; 17(36):10089-96. doi:
10.1002/chem.201100983. [PMID: 21793062] - Thomas A Colquhoun, Joo Young Kim, Ashlyn E Wedde, Laura A Levin, Kyle C Schmitt, Robert C Schuurink, David G Clark. PhMYB4 fine-tunes the floral volatile signature of Petunia x hybrida through PhC4H.
Journal of experimental botany.
2011 Jan; 62(3):1133-43. doi:
10.1093/jxb/erq342. [PMID: 21068208] - 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] - Katherine G Zulak, Aalim M Weljie, Hans J Vogel, Peter J Facchini. Quantitative 1H NMR metabolomics reveals extensive metabolic reprogramming of primary and secondary metabolism in elicitor-treated opium poppy cell cultures.
BMC plant biology.
2008 Jan; 8(?):5. doi:
10.1186/1471-2229-8-5. [PMID: 18211706] - Irina Orlova, Amy Marshall-Colón, Jennifer Schnepp, Barbara Wood, Marina Varbanova, Eyal Fridman, Joshua J Blakeslee, Wendy Ann Peer, Angus S Murphy, David Rhodes, Eran Pichersky, Natalia Dudareva. Reduction of benzenoid synthesis in petunia flowers reveals multiple pathways to benzoic acid and enhancement in auxin transport.
The Plant cell.
2006 Dec; 18(12):3458-75. doi:
10.1105/tpc.106.046227. [PMID: 17194766] - Moran Farhi, Natalia Dudareva, Tania Masci, David Weiss, Alexander Vainstein, Hagai Abeliovich. Synthesis of the food flavoring methyl benzoate by genetically engineered Saccharomyces cerevisiae.
Journal of biotechnology.
2006 Apr; 122(3):307-15. doi:
10.1016/j.jbiotec.2005.12.007. [PMID: 16442655] - H Moriwaki, Y Tsujimoto, M Shimizu, T Noda, M Warashina, M Tanaka. Influence of sodium benzoate on the metabolism of o-xylene in the rat.
Xenobiotica; the fate of foreign compounds in biological systems.
2005 May; 35(5):487-97. doi:
10.1080/00498250500057476. [PMID: 16012080] - Beverly A Underwood, Denise M Tieman, Kenichi Shibuya, Richard J Dexter, Holly M Loucas, Andrew J Simkin, Charles A Sims, Eric A Schmelz, Harry J Klee, David G Clark. Ethylene-regulated floral volatile synthesis in petunia corollas.
Plant physiology.
2005 May; 138(1):255-66. doi:
10.1104/pp.104.051144. [PMID: 15849311] - Florence Negre, Christine M Kish, Jennifer Boatright, Beverly Underwood, Kenichi Shibuya, Conrad Wagner, David G Clark, Natalia Dudareva. Regulation of methylbenzoate emission after pollination in snapdragon and petunia flowers.
The Plant cell.
2003 Dec; 15(12):2992-3006. doi:
10.1105/tpc.016766. [PMID: 14630969] - Natalia Dudareva, Diane Martin, Christine M Kish, Natalia Kolosova, Nina Gorenstein, Jenny Fäldt, Barbara Miller, Jörg Bohlmann. (E)-beta-ocimene and myrcene synthase genes of floral scent biosynthesis in snapdragon: function and expression of three terpene synthase genes of a new terpene synthase subfamily.
The Plant cell.
2003 May; 15(5):1227-41. doi:
10.1105/tpc.011015. [PMID: 12724546] - Julian C Verdonk, C H Ric de Vos, Harrie A Verhoeven, Michel A Haring, Arjen J van Tunen, Robert C Schuurink. Regulation of floral scent production in petunia revealed by targeted metabolomics.
Phytochemistry.
2003 Mar; 62(6):997-1008. doi:
10.1016/s0031-9422(02)00707-0. [PMID: 12590126] - N Kolosova, D Sherman, D Karlson, N Dudareva. Cellular and subcellular localization of S-adenosyl-L-methionine:benzoic acid carboxyl methyltransferase, the enzyme responsible for biosynthesis of the volatile ester methylbenzoate in snapdragon flowers.
Plant physiology.
2001 Jul; 126(3):956-64. doi:
10.1104/pp.126.3.956. [PMID: 11457946] - 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] - . .
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