1,3,5-Trichloro-2-methoxybenzene (BioDeep_00000008699)

 

Secondary id: BioDeep_00001871984

human metabolite Endogenous Volatile Flavor Compounds


代谢物信息卡片


Benzene, 1,3,5-trichloro-2-methoxy- (9ci)

化学式: C7H5Cl3O (209.94059700000003)
中文名称: 2,4,6-三氯苯甲醚, 2,4,6-三氯茴香醚
谱图信息: 最多检出来源 Homo sapiens(blood) 0.64%

分子结构信息

SMILES: COC1=C(C=C(C=C1Cl)Cl)Cl
InChI: InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3

描述信息

1,3,5-Trichloro-2-methoxybenzene is found in alcoholic beverages. Off-odour component found in foods etc. Responsible for cork taint in wine

同义名列表

15 个代谢物同义名

Benzene, 1,3,5-trichloro-2-methoxy- (9ci); 1,3,5-Trichloro-2-methoxybenzene, 9ci; Benzene,1,3,5-trichloro-2-methoxy-; Methyl 2,4,6-trichlorophenyl ether; 1,3,5-Trichloro-2-methoxy-benzene; 1,3,5-Trichloro-2-methoxybenzene; 2,4,6-Trichloro-1-methoxybenzene; Anisole, 2,4,6-trichloro- (8ci); 2,4,6-Trichloro-anisole; 2,4,6-TRICHLOROANISOLE; 2,4.6-Trichloroanisole; Trichloroanisole; Tyrene; 2,4.6-Trichloroanisole; 2,4,6-Trichloroanisole



数据库引用编号

16 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)

2 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

  • R J Barczak, R M Fisher, N Le-Minh, R M Stuetz. Importance of 2,4,6-Trichloroanisole (TCA) as an odorant in the emissions from anaerobically stabilized dewatered biosolids. Chemosphere. 2019 Dec; 236(?):124340. doi: 10.1016/j.chemosphere.2019.07.071. [PMID: 31344618]
  • Theofylaktos Apostolou, Nuria Pascual, M-Pilar Marco, Anastassios Moschos, Anastassios Petropoulos, Grigoris Kaltsas, Spyridon Kintzios. Extraction-less, rapid assay for the direct detection of 2,4,6-trichloroanisole (TCA) in cork samples. Talanta. 2014 Jul; 125(?):336-40. doi: 10.1016/j.talanta.2014.03.023. [PMID: 24840453]
  • António M Peres, Patrícia Freitas, Luís G Dias, Mara E B C Sousa, Luís M Castro, Ana C A Veloso. Cyclic voltammetry: a tool to quantify 2,4,6-trichloroanisole in aqueous samples from cork planks boiling industrial process. Talanta. 2013 Dec; 117(?):438-44. doi: 10.1016/j.talanta.2013.09.039. [PMID: 24209365]
  • Hiroko Takeuchi, Hiroyuki Kato, Takashi Kurahashi. 2,4,6-trichloroanisole is a potent suppressor of olfactory signal transduction. Proceedings of the National Academy of Sciences of the United States of America. 2013 Oct; 110(40):16235-40. doi: 10.1073/pnas.1300764110. [PMID: 24043819]
  • T Urase, Y Sasaki. Occurrence of earthy and musty odor compounds (geosmin, 2-methylisoborneol and 2,4,6-trichloroanisole) in biologically treated wastewater. Water science and technology : a journal of the International Association on Water Pollution Research. 2013; 68(9):1969-75. doi: 10.2166/wst.2013.451. [PMID: 24225096]
  • Xi Tang, Ming Liang, Xiaojing Li, Wenming Xiong, Hong Tang, Xiaoli Jiang, Jiamin Chen. [Determination of two mouldy compounds in cork by gas chromatography-mass spectrometry]. Se pu = Chinese journal of chromatography. 2012 Jul; 30(7):733-7. doi: 10.3724/sp.j.1123.2012.03002. [PMID: 23189671]
  • M Àngels Olivella, Josep Caixach, Carles Planas, Anna Oliveras, Patrícia Jové. Concentrations of organochlorine pesticides and 2,4,6-trichloroanisole in cork bark. Chemosphere. 2012 Feb; 86(7):754-8. doi: 10.1016/j.chemosphere.2011.11.009. [PMID: 22133910]
  • Vassileios Varelas, Nuria Sanvicens, M-Pilar-Marco, Spiridon Kintzios. Development of a cellular biosensor for the detection of 2,4,6-trichloroanisole (TCA). Talanta. 2011 May; 84(3):936-40. doi: 10.1016/j.talanta.2011.02.029. [PMID: 21482306]
  • Jillian M Hagel, Peter J Facchini. Biochemistry and occurrence of o-demethylation in plant metabolism. Frontiers in physiology. 2010; 1(?):14. doi: 10.3389/fphys.2010.00014. [PMID: 21423357]
  • Carlos Macku, Lesa Gonzalez, Christiane Schleussner, Ana Cristina Mesquita, James W Herwatt, Leonard C Kirch, Rob J Schwartz. Sensory screening for large-format natural corks by 'dry soak' testing and its correlation to headspace solid-phase microextraction (SPME) gas chromatography/mass spectrometry (GC/MS) releasable trichloroanisole (TCA) analysis. Journal of agricultural and food chemistry. 2009 Sep; 57(17):7962-8. doi: 10.1021/jf901135p. [PMID: 19722710]
  • Cándida Lorenzo, Amaya Zalacain, Gonzalo L Alonso, M A Rosario Salinas. Non-destructive method to determine halophenols and haloanisoles in cork stoppers by headspace sorptive extraction. Journal of chromatography. A. 2006 May; 1114(2):250-4. doi: 10.1016/j.chroma.2006.02.037. [PMID: 16516907]
  • Oscar Ezquerro, María Teresa Tena. Determination of odour-causing volatile organic compounds in cork stoppers by multiple headspace solid-phase microextraction. Journal of chromatography. A. 2005 Mar; 1068(2):201-8. doi: 10.1016/j.chroma.2005.01.089. [PMID: 15830925]
  • Cunzhen Liang, Dongsheng Wang, Min Yang, Wei Sun, Shifang Zhang. Removal of earthy-musty odorants in drinking water by powdered activated carbon. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering. 2005; 40(4):767-78. doi: 10.1081/ese-200048262. [PMID: 15792298]
  • M K Taylor, T M Young, C E Butzke, S E Ebeler. Supercritical fluid extraction of 2,4,6-trichloroanisole from cork stoppers. Journal of agricultural and food chemistry. 2000 Jun; 48(6):2208-11. doi: 10.1021/jf991045q. [PMID: 10888523]