Hemimellitene (BioDeep_00000014777)

 

Secondary id: BioDeep_00001873837

human metabolite natural product


代谢物信息卡片


1,2,3-TRIMETHYLBENZENE

化学式: C9H12 (120.0939)
中文名称: 1,2,3-三甲苯, 三甲苯
谱图信息: 最多检出来源 Homo sapiens(feces) 18.75%

分子结构信息

SMILES: CC1=C(C(=CC=C1)C)C
InChI: InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3

描述信息

Hemimellitene, also known as hemellitol or 123-trimethylbenzene, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Hemimellitene can be found in black walnut and corn, which makes hemimellitene a potential biomarker for the consumption of these food products. Hemimellitene can be found primarily in feces and saliva. Hemimellitene exists in all eukaryotes, ranging from yeast to humans. Hemimellitene is an organic compound with the chemical formula C6H3(CH3)3. Classified as an aromatic hydrocarbon, it is a flammable colorless liquid. It is nearly insoluble in water but soluble in organic solvents. It occurs naturally in coal tar and petroleum. It is one of the three isomers of trimethylbenzene. It is used in jet fuel, mixed with other hydrocarbons, to prevent the formation of solid particles which might damage the engine .
Hemimellitene belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.

同义名列表

7 个代谢物同义名

1,2,3-TRIMETHYLBENZENE; Hemimellitene; Hemimellitol; Hemellitol; trimethylbenzene; 1,2,3-Trimethylbenzene; 1,2,3-Trimethylbenzene



数据库引用编号

19 个数据库交叉引用编号

分类词条

相关代谢途径

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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)

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24 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。

亚细胞结构定位 关联基因列表


文献列表

  • Radosław Świercz, Wanda Majcherek, Wojciech Wąsowicz. Hemimellitene (1,2,3-trimethylbenzene) in the liver, lung, kidney, and blood, and dimethylbenzoic acid isomers in the liver, lung, kidney and urine of rats after single and repeated inhalation exposure to hemimellitene. International journal of occupational medicine and environmental health. 2016; 29(1):113-28. doi: 10.13075/ijomeh.1896.00599. [PMID: 26489948]
  • Igor Jerković, Dajana Gašo-Sokač, Hrvoje Pavlović, Zvonimir Marijanović, Mirko Gugić, Ivana Petrović, Spomenka Kovač. Volatile organic compounds from Centaurium erythraea Rafn (Croatia) and the antimicrobial potential of its essential oil. Molecules (Basel, Switzerland). 2012 Feb; 17(2):2058-72. doi: 10.3390/molecules17022058. [PMID: 22349896]
  • María A Martínez, Salomé Ballesteros. Two suicidal fatalities due to the ingestion of chlorfenvinphos formulations: simultaneous determination of the pesticide and the petroleum distillates in tissues by gas chromatography-flame-ionization detection and gas chromatography-mass spectrometry. Journal of analytical toxicology. 2012 Jan; 36(1):44-51. doi: 10.1093/jat/bkr014. [PMID: 22290752]
  • Minerva Martínez-Alfaro, Yolanda Alcaraz-Contreras, Alfonso Cárabez-Trejo, Guillermo E Leo-Amador. Oxidative stress effects of thinner inhalation. Indian journal of occupational and environmental medicine. 2011 Sep; 15(3):87-92. doi: 10.4103/0019-5278.93195. [PMID: 22412283]
  • Joanna Rudnicka, Paweł Mochalski, Agapios Agapiou, Milt Statheropoulos, Anton Amann, Bogusław Buszewski. Application of ion mobility spectrometry for the detection of human urine. Analytical and bioanalytical chemistry. 2010 Nov; 398(5):2031-8. doi: 10.1007/s00216-010-4147-0. [PMID: 20820995]
  • Yuan-Chin Chen, Hui-Fen Wu. Revolving hollow fiber-liquid phase microextraction coupled to GC/MS using electron ionization for quantification of five aromatic hydrocarbon isomers. Journal of separation science. 2009 Sep; 32(17):3013-9. doi: 10.1002/jssc.200900133. [PMID: 19714662]
  • Michael J Firth. Derivation of a chronic reference dose and reference concentration for trimethylbenzenes and C9 aromatic hydrocarbon solvents. Regulatory toxicology and pharmacology : RTP. 2008 Dec; 52(3):248-56. doi: 10.1016/j.yrtph.2008.08.017. [PMID: 18809451]
  • Paulo Loureiro de Sousa, João Bruno Livramento, Lothar Helm, André E Merbach, William Même, Bich-Thuy Doan, Jean-Claude Beloeil, Maria I M Prata, Ana C Santos, Carlos F G C Geraldes, Eva Tóth. In vivo MRI assessment of a novel GdIII-based contrast agent designed for high magnetic field applications. Contrast media & molecular imaging. 2008 Mar; 3(2):78-85. doi: 10.1002/cmmi.233. [PMID: 18412106]
  • K Jones, M Meldrum, E Baird, S Cottrell, P Kaur, N Plant, D Dyne, J Cocker. Biological monitoring for trimethylbenzene exposure: a human volunteer study and a practical example in the workplace. The Annals of occupational hygiene. 2006 Aug; 50(6):593-8. doi: 10.1093/annhyg/mel016. [PMID: 16549407]
  • F Muhammad, N A Monteiro-Riviere, R E Baynes, J E Riviere. Effect of in vivo jet fuel exposure on subsequent in vitro dermal absorption of individual aromatic and aliphatic hydrocarbon fuel constituents. Journal of toxicology and environmental health. Part A. 2005 May; 68(9):719-37. doi: 10.1080/15287390590925456. [PMID: 16020199]
  • F Muhammad, N A Monteiro-Riviere, J E Riviere. Comparative in vivo toxicity of topical JP-8 jet fuel and its individual hydrocarbon components: identification of tridecane and tetradecane as key constituents responsible for dermal irritation. Toxicologic pathology. 2005; 33(2):258-66. doi: 10.1080/01926230590908222. [PMID: 15902969]
  • S P Cooper, K Burau, A Sweeney, T Robison, M A Smith, E Symanski, J S Colt, J Laseter, S H Zahm. Prenatal exposure to pesticides: a feasibility study among migrant and seasonal farmworkers. American journal of industrial medicine. 2001 Nov; 40(5):578-85. doi: 10.1002/ajim.1123. [PMID: 11675627]
  • R J DeVita, T F Walsh, J R Young, J Jiang, F Ujjainwalla, R B Toupence, M Parikh, S X Huang, J A Fair, M T Goulet, M J Wyvratt, J L Lo, N Ren, J B Yudkovitz, Y T Yang, K Cheng, J Cui, G Mount, S P Rohrer, J M Schaeffer, L Rhodes, J E Drisko, E McGowan, D E MacIntyre, S Vincent, J R Carlin, J Cameron, R G Smith. A potent, nonpeptidyl 1H-quinolone antagonist for the gonadotropin-releasing hormone receptor. Journal of medicinal chemistry. 2001 Mar; 44(6):917-22. doi: 10.1021/jm000275p. [PMID: 11300873]
  • Y Tsujimoto, T Noda, M Shimizu, H Moriwaki, M Tanaka. Identification of the dimethylbenzyl mercapturic acid in urine of rats treated with 1,2,3-trimethylbenzene. Chemosphere. 1999 Aug; 39(5):725-30. doi: 10.1016/s0045-6535(99)00008-9. [PMID: 10448551]
  • P Kostrzewski, A Wiaderna-Brycht, B Czerski. Biological monitoring of experimental human exposure to trimethylbenzene. The Science of the total environment. 1997 Jun; 199(1-2):73-81. doi: 10.1016/s0048-9697(97)05504-6. [PMID: 9200849]
  • J Järnberg, G Johanson, A Löf. Toxicokinetics of inhaled trimethylbenzenes in man. Toxicology and applied pharmacology. 1996 Oct; 140(2):281-8. doi: 10.1006/taap.1996.0223. [PMID: 8887444]
  • E Z Rabin, V Weinberger. The isolation, purification, and properties of a ribonuclease from normal human urine. Biochemical medicine. 1975 Sep; 14(1):1-11. doi: 10.1016/0006-2944(75)90014-9. [PMID: 2164]
  • P I Mikulski, R Wiglusz. The comparative metabolism of mesitylene, pseudocumene, and hemimellitene in rats. Toxicology and applied pharmacology. 1975 Jan; 31(1):21-31. doi: 10.1016/0041-008x(75)90048-4. [PMID: 1129786]
  • R M Kater, N Carulli, F L Iber. Differences in the rate of ethanol metabolism in recently drinking alcoholic and nondrinking subjects. The American journal of clinical nutrition. 1969 Dec; 22(12):1608-17. doi: 10.1093/ajcn/22.12.1608. [PMID: 5362487]