2,4,6-Trichlorphenol (BioDeep_00000003038)

代谢物信息卡片

2,4,6-TRICHLOROPHENOL

化学式: C6H3Cl3O (195.9249478)
中文名称: 2,4,6-三氯苯酚
谱图信息: 最多检出来源 Viridiplantae(plant) 0.33%

分子结构信息

SMILES: C1=C(C=C(C(=C1Cl)O)Cl)Cl
InChI: InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

描述信息

CONFIDENCE standard compound; INTERNAL_ID 995; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5132; ORIGINAL_PRECURSOR_SCAN_NO 5129
CONFIDENCE standard compound; INTERNAL_ID 995; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5120; ORIGINAL_PRECURSOR_SCAN_NO 5119
CONFIDENCE standard compound; INTERNAL_ID 995; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5105; ORIGINAL_PRECURSOR_SCAN_NO 5103
CONFIDENCE standard compound; INTERNAL_ID 995; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5177; ORIGINAL_PRECURSOR_SCAN_NO 5173
CONFIDENCE standard compound; INTERNAL_ID 995; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5144; ORIGINAL_PRECURSOR_SCAN_NO 5142
CONFIDENCE standard compound; INTERNAL_ID 995; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5144; ORIGINAL_PRECURSOR_SCAN_NO 5143
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8137
D009676 - Noxae > D009153 - Mutagens

同义名列表

2 个代谢物同义名

2,4,6-TRICHLOROPHENOL; 2,4,6-Trichlorphenol

数据库引用编号

19 个数据库交叉引用编号

ChEBI: CHEBI:28755
KEGG: C07098
PubChem: 6914
Metlin: METLIN66584
ChEMBL: CHEMBL309917
CAS: 208461-28-3
CAS: 88-06-2
MoNA: LU099553
MoNA: LU099556
MoNA: LU099555
MoNA: LU099552
MoNA: LU099551
MoNA: LU099554
MoNA: SM813751
PMhub: MS000007785
PubChem: 9309
PDB-CCD: T6C
3DMET: B01066
NIKKAJI: J3.543B

分类词条

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)

0 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

Zhenxuan Zhang, Qingyao Zhu, Wenjie Liang, Zekun Han, Cui Huang, An Liu, Yujuan Lu, Jiang Ma, Mengting Yang. Investigation on detoxication effects of 2-hydroxypropyl-β-cyclodextrin over two halogenated aromatic DBPs 2,4,6-trichlorophenol and 2,4,6-tribromophenol binding with human serum albumin. Food chemistry. 2022 Jul; 382(?):132349. doi: 10.1016/j.foodchem.2022.132349. [PMID: 35158266]
Dip Mukherjee, Nuno G C Ferreira, Nimai Chandra Saha. Effects of 2,4,6-Trichlorophenol on Clarias batrachus: a biomarkers approach. Environmental science and pollution research international. 2022 Jul; 29(31):47011-47024. doi: 10.1007/s11356-022-19213-y. [PMID: 35175533]
Wan-Jun Yang, Hua-Bing Wu, Chi Zhang, Qi Zhong, Ming-Jun Hu, Jia-Liu He, Guo-Ao Li, Zhen-Yu Zhu, Jin-Liang Zhu, Huan-Huan Zhao, Han-Shuang Zhang, Fen Huang. Exposure to 2,4-dichlorophenol, 2,4,6-trichlorophenol, pentachlorophenol and risk of thyroid cancer: a case-control study in China. Environmental science and pollution research international. 2021 Nov; 28(43):61329-61343. doi: 10.1007/s11356-021-14898-z. [PMID: 34173948]
Praveen Kumar Gopi, Chandan Hunsur Ravikumar, Shen-Ming Chen, Tse-Wei Chen, Mohammad Ajmal Ali, Fahad M A Al-Hemaid, Mohammad Suliman El-Shikh, A K Alnakhli. Tailoring of bismuth vanadate impregnated on molybdenum/graphene oxide sheets for sensitive detection of environmental pollutants 2, 4, 6 trichlorophenol. Ecotoxicology and environmental safety. 2021 Mar; 211(?):111934. doi: 10.1016/j.ecoenv.2021.111934. [PMID: 33472109]
Zhenjun Li, Rihe Peng, Quanhong Yao. SlMYB14 promotes flavonoids accumulation and confers higher tolerance to 2,4,6-trichlorophenol in tomato. Plant science : an international journal of experimental plant biology. 2021 Feb; 303(?):110796. doi: 10.1016/j.plantsci.2020.110796. [PMID: 33487333]
Qingkui Fang, Gengyou Yao, Yanhong Shi, Chenchun Ding, Yi Wang, Xiangwei Wu, Rimao Hua, Haiqun Cao. Residue Dynamics and Risk Assessment of Prochloraz and Its Metabolite 2,4,6-Trichlorophenol in Apple. Molecules (Basel, Switzerland). 2017 Oct; 22(10):. doi: 10.3390/molecules22101780. [PMID: 29053615]
Golam Jalal Ahammed, Bei-Bei He, Xiang-Jie Qian, Yan-Hong Zhou, Kai Shi, Jie Zhou, Jing-Quan Yu, Xiao-Jian Xia. 24-Epibrassinolide alleviates organic pollutants-retarded root elongation by promoting redox homeostasis and secondary metabolism in Cucumis sativus L. Environmental pollution (Barking, Essex : 1987). 2017 Oct; 229(?):922-931. doi: 10.1016/j.envpol.2017.07.076. [PMID: 28774551]
Lu Wang, Xiurong Chen, Hualin Wang, Yuying Zhang, Qingjie Tang, Jiahui Li. Chlorella vulgaris cultivation in sludge extracts from 2,4,6-TCP wastewater treatment for toxicity removal and utilization. Journal of environmental management. 2017 Feb; 187(?):146-153. doi: 10.1016/j.jenvman.2016.11.020. [PMID: 27889658]
Zhenjun Li, Bo Zhu, Bo Wang, Jianjie Gao, Xiaoyan Fu, Quanhong Yao. Stress responses to trichlorophenol in Arabidopsis and integrative analysis of alteration in transcriptional profiling from microarray. Gene. 2015 Jan; 555(2):159-68. doi: 10.1016/j.gene.2014.10.059. [PMID: 25445278]
Kisok Kim, Hyejin Park, Jin Heon Lee. Urinary concentrations of trichlorophenols in the Korean adult population: results of the National Human Biomonitoring Survey 2009. Environmental science and pollution research international. 2014 Feb; 21(4):2479-85. doi: 10.1007/s11356-013-2180-1. [PMID: 24078273]
Montse Mari, Martí Nadal, Marta Schuhmacher, José L Domingo. Body burden monitoring of dioxins and other organic substances in workers at a hazardous waste incinerator. International journal of hygiene and environmental health. 2013 Nov; 216(6):728-34. doi: 10.1016/j.ijheh.2013.01.003. [PMID: 23419586]
Nadavala Siva Kumar, Heung-Sik Woo, Kim Min. Equilibrium and kinetic studies on biosorption of 2,4,6-trichlorophenol from aqueous solutions by Acacia leucocephala bark. Colloids and surfaces. B, Biointerfaces. 2012 Jun; 94(?):125-32. doi: 10.1016/j.colsurfb.2012.01.048. [PMID: 22365378]
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]
Yungui Li, Yingqing Deng, Baoliang Chen. Sorption of chlorophenols onto fruit cuticles and potato periderm. Journal of environmental sciences (China). 2012; 24(4):675-81. doi: 10.1016/s1001-0742(11)60891-7. [PMID: 22894102]
Karina Boltes, Roberto Rosal, Eloy García-Calvo. Toxicity of mixtures of perfluorooctane sulphonic acid with chlorinated chemicals and lipid regulators. Chemosphere. 2012 Jan; 86(1):24-9. doi: 10.1016/j.chemosphere.2011.08.041. [PMID: 21943644]
Xiaohui Xu, Wendy N Nembhard, Haidong Kan, Greg Kearney, Zhi-Jiang Zhang, Evelyn O Talbott. Urinary trichlorophenol levels and increased risk of attention deficit hyperactivity disorder among US school-aged children. Occupational and environmental medicine. 2011 Aug; 68(8):557-61. doi: 10.1136/oem.2010.063859. [PMID: 21540483]
Esther Martí, Jordi Sierra, Joan Cáliz, Genoveva Montserrat, Xavier Vila, María Antonia Garau, Robert Cruañas. Ecotoxicity of chlorophenolic compounds depending on soil characteristics. The Science of the total environment. 2011 Jun; 409(14):2707-16. doi: 10.1016/j.scitotenv.2011.03.005. [PMID: 21531445]
Dilip K Biswas, Gillian Scannell, Nurlan Akhmetov, Dara Fitzpatrick, Marcel A K Jansen. 2,4,6-Trichlorophenol mediated increases in extracellular peroxidase activity in three species of Lemnaceae. Aquatic toxicology (Amsterdam, Netherlands). 2010 Nov; 100(3):289-94. doi: 10.1016/j.aquatox.2010.08.001. [PMID: 20810175]
Rosemary Castorina, Asa Bradman, Laura Fenster, Dana Boyd Barr, Roberto Bravo, Michelle G Vedar, Martha E Harnly, Thomas E McKone, Ellen A Eisen, Brenda Eskenazi. Comparison of current-use pesticide and other toxicant urinary metabolite levels among pregnant women in the CHAMACOS cohort and NHANES. Environmental health perspectives. 2010 Jun; 118(6):856-63. doi: 10.1289/ehp.0901568. [PMID: 20129873]
Won-Jin Sim, Sung-Hee Lee, In-Seok Lee, Sung-Deuk Choi, Jeong-Eun Oh. Distribution and formation of chlorophenols and bromophenols in marine and riverine environments. Chemosphere. 2009 Oct; 77(4):552-8. doi: 10.1016/j.chemosphere.2009.07.006. [PMID: 19664797]
B H Hameed, I A W Tan, A L Ahmad. Preparation of oil palm empty fruit bunch-based activated carbon for removal of 2,4,6-trichlorophenol: optimization using response surface methodology. Journal of hazardous materials. 2009 May; 164(2-3):1316-24. doi: 10.1016/j.jhazmat.2008.09.042. [PMID: 18977086]
I A W Tan, A L Ahmad, B H Hameed. Adsorption isotherms, kinetics, thermodynamics and desorption studies of 2,4,6-trichlorophenol on oil palm empty fruit bunch-based activated carbon. Journal of hazardous materials. 2009 May; 164(2-3):473-82. doi: 10.1016/j.jhazmat.2008.08.025. [PMID: 18818013]
Kei Shimoda, Naoji Kubota, Yoko Kondo, Daisuke Sato, Hiroki Hamada. Glycosylation of fluorophenols by plant cell cultures. International journal of molecular sciences. 2009 Apr; 10(5):1942-1949. doi: 10.3390/ijms10051942. [PMID: 19564930]
Montse Mari, Marta Schuhmacher, José L Domingo. Levels of metals and organic substances in workers at a hazardous waste incinerator: a follow-up study. International archives of occupational and environmental health. 2009 Mar; 82(4):519-28. doi: 10.1007/s00420-008-0350-0. [PMID: 18712406]
I A W Tan, A L Ahmad, B H Hameed. Fixed-bed adsorption performance of oil palm shell-based activated carbon for removal of 2,4,6-trichlorophenol. Bioresource technology. 2009 Feb; 100(3):1494-6. doi: 10.1016/j.biortech.2008.08.017. [PMID: 18809316]
Claudia Nunes, Celia Sousa, Helena Ferreira, Marlene Lucio, Jose L F C Lima, Joana Tavares, Anabela Cordeiro-da-Silva, Salette Reis. Substituted phenols as pollutants that affect membrane fluidity. Journal of environmental biology. 2008 Sep; 29(5):733-8. doi: ". [PMID: 19295073]
Rie Ito, Migaku Kawaguchi, Hidehiro Honda, Youji Koganei, Noriya Okanouchi, Norihiro Sakui, Koichi Saito, Hiroyuki Nakazawa. Hollow-fiber-supported liquid phase microextraction with in situ derivatization and gas chromatography-mass spectrometry for determination of chlorophenols in human urine samples. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2008 Sep; 872(1-2):63-7. doi: 10.1016/j.jchromb.2008.07.008. [PMID: 18676208]
K Neuer-Etscheidt, J Orasche, H Nordsieck, T Streibel, R Zimmermann, A Kettrup. Changes in PCDD/PCDF formation processes during instationary phases of combustor operation--exemplified by the use of Cl4DD isomer patterns. Chemosphere. 2007 Apr; 67(9):S205-16. doi: 10.1016/j.chemosphere.2006.05.153. [PMID: 17276489]
Christelle Briois, Shawn Ryan, Dennis Tabor, Abderrahmane Touati, Brian K Gullett. Formation of polychlorinated dibenzo-p-dioxins and dibenzofurans from a mixture of chlorophenols over fly ash: influence of water vapor. Environmental science & technology. 2007 Feb; 41(3):850-6. doi: 10.1021/es0613761. [PMID: 17328193]
Christopher J P Snyder, M Asghar, Jeno M Scharer, Raymond L Legge. Biodegradation kinetics of 2,4,6-trichlorophenol by an acclimated mixed microbial culture under aerobic conditions. Biodegradation. 2006 Dec; 17(6):535-44. doi: 10.1007/s10532-005-9024-8. [PMID: 16489415]
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]
Aimee E Greyshock, Peter J Vikesland. Triclosan reactivity in chloraminated waters. Environmental science & technology. 2006 Apr; 40(8):2615-22. doi: 10.1021/es051952d. [PMID: 16683600]
Richard A Fenske, Asa Bradman, Robin M Whyatt, Mary S Wolff, Dana B Barr. Lessons learned for the assessment of children's pesticide exposure: critical sampling and analytical issues for future studies. Environmental health perspectives. 2005 Oct; 113(10):1455-62. doi: 10.1289/ehp.7674. [PMID: 16203262]
Xiaoyun Ye, Zsuzsanna Kuklenyik, Larry L Needham, Antonia M Calafat. Automated on-line column-switching HPLC-MS/MS method with peak focusing for the determination of nine environmental phenols in urine. Analytical chemistry. 2005 Aug; 77(16):5407-13. doi: 10.1021/ac050390d. [PMID: 16097788]
Syed A M Al-Arabi, Margaretha Adolfsson-Erici, Rune Waagbø, M S Ali, Anders Goksøyr. Contaminant accumulation and biomarker responses in caged fish exposed to effluents from anthropogenic sources in the Karnaphuly River, Bangladesh. Environmental toxicology and chemistry. 2005 Aug; 24(8):1968-78. doi: 10.1897/04-383r.1. [PMID: 16152969]
Roberto Bravo, Lisa M Caltabiano, Carolina Fernandez, Kimberly D Smith, Maribel Gallegos, Ralph D Whitehead, Gayanga Weerasekera, Paula Restrepo, Amanda M Bishop, José J Perez, Larry L Needham, Dana B Barr. Quantification of phenolic metabolites of environmental chemicals in human urine using gas chromatography-tandem mass spectrometry and isotope dilution quantification. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2005 Jun; 820(2):229-36. doi: 10.1016/j.jchromb.2005.03.012. [PMID: 15899376]
Rui Wang, Chen-Loung Chen, Josef S Gratzl. Dechlorination of chlorophenols found in pulp bleach plant E-1 effluents by advanced oxidation processes. Bioresource technology. 2005 May; 96(8):897-906. doi: 10.1016/j.biortech.2004.08.011. [PMID: 15627560]
Guo-Dong Wang, Qian-Jin Li, Bin Luo, Xiao-Ya Chen. Ex planta phytoremediation of trichlorophenol and phenolic allelochemicals via an engineered secretory laccase. Nature biotechnology. 2004 Jul; 22(7):893-7. doi: 10.1038/nbt982. [PMID: 15195102]
Katja Radon, Ralf Wegner, Regine Heinrich-Ramm, Xaver Baur, Bernd Poschadel, Dieter Szadkowski. Chlorophenol exposure in harbor workers exposed to river silt aerosols. American journal of industrial medicine. 2004 May; 45(5):440-5. doi: 10.1002/ajim.20002. [PMID: 15095426]
M Carmen Agramunt, Angels Domingo, Jose L Domingo, Jacinto Corbella. Monitoring internal exposure to metals and organic substances in workers at a hazardous waste incinerator after 3 years of operation. Toxicology letters. 2003 Dec; 146(1):83-91. doi: 10.1016/j.toxlet.2003.09.003. [PMID: 14615070]
Daqiang Yin, Shuangqing Hu, Hongjun Jin, Lingwei Yu. Deriving freshwater quality criteria for 2,4,6-trichlorophenol for protection of aquatic life in China. Chemosphere. 2003 Jul; 52(1):67-73. doi: 10.1016/s0045-6535(03)00273-x. [PMID: 12729688]
Mikaela Nichkova, Jun Feng, Francisco Sanchez-Baeza, M Pilar Marco, Bruce D Hammock, Ian M Kennedy. Competitive quenching fluorescence immunoassay for chlorophenols based on laser-induced fluorescence detection in microdroplets. Analytical chemistry. 2003 Jan; 75(1):83-90. doi: 10.1021/ac025933n. [PMID: 12530822]
B Antizar-Ladislao, N I Galil. Simulation of bioremediation of chlorophenols in a sandy aquifer. Water research. 2003 Jan; 37(1):238-44. doi: 10.1016/s0043-1354(02)00106-9. [PMID: 12465806]
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