2,5-Dichlorophenol (BioDeep_00000006228)

 

Secondary id: BioDeep_00001867791

human metabolite


代谢物信息卡片


2,5-Dichlorophenol, potassium salt

化学式: C6H4Cl2O (161.9639194)
中文名称: 2,5-二氯苯酚
谱图信息: 最多检出来源 Homo sapiens(blood) 58.67%

分子结构信息

SMILES: C1=CC(=C(C=C1Cl)O)Cl
InChI: InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

描述信息

CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13208; ORIGINAL_PRECURSOR_SCAN_NO 13205
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13243; ORIGINAL_PRECURSOR_SCAN_NO 13239
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13287; ORIGINAL_PRECURSOR_SCAN_NO 13282
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13308; ORIGINAL_PRECURSOR_SCAN_NO 13303
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 13281; ORIGINAL_PRECURSOR_SCAN_NO 13277
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4965; ORIGINAL_PRECURSOR_SCAN_NO 4964
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4975; ORIGINAL_PRECURSOR_SCAN_NO 4974
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4984; ORIGINAL_PRECURSOR_SCAN_NO 4981
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4995; ORIGINAL_PRECURSOR_SCAN_NO 4994
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5002; ORIGINAL_PRECURSOR_SCAN_NO 5001
CONFIDENCE standard compound; INTERNAL_ID 906; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5041; ORIGINAL_PRECURSOR_SCAN_NO 5040
2,5-dichlorophenol belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.

同义名列表

8 个代谢物同义名

2,5-Dichlorophenol, potassium salt; 2,5-Dichlorophenol (acd/name 4.0); 2,5-Dichlorophenol, sodium salt; Potassium 2,5-dichlorophenoxide; Sodium 2,5-dichlorophenoxide; 2,5-Dichloro-phenol; 2,5-dichlorophenol; 2,5-DCP



数据库引用编号

26 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

  • Mary R Rooney, Pamela L Lutsey, Parveen Bhatti, Anna Prizment. Urinary 2,5-dicholorophenol and 2,4-dichlorophenol concentrations and prevalent disease among adults in the National Health and Nutrition Examination Survey (NHANES). Occupational and environmental medicine. 2019 03; 76(3):181-188. doi: 10.1136/oemed-2018-105278. [PMID: 30377258]
  • Hyejin Park, Kisok Kim. Concentrations of 2,4-Dichlorophenol and 2,5-Dichlorophenol in Urine of Korean Adults. International journal of environmental research and public health. 2018 03; 15(4):. doi: 10.3390/ijerph15040589. [PMID: 29587398]
  • Céline Vernet, Claire Philippat, Antonia M Calafat, Xiaoyun Ye, Sarah Lyon-Caen, Valérie Siroux, Enrique F Schisterman, Rémy Slama. Within-Day, Between-Day, and Between-Week Variability of Urinary Concentrations of Phenol Biomarkers in Pregnant Women. Environmental health perspectives. 2018 03; 126(3):037005. doi: 10.1289/ehp1994. [PMID: 29553460]
  • Masato Honda, Kurunthachalam Kannan. Biomonitoring of chlorophenols in human urine from several Asian countries, Greece and the United States. Environmental pollution (Barking, Essex : 1987). 2018 Jan; 232(?):487-493. doi: 10.1016/j.envpol.2017.09.073. [PMID: 28966025]
  • Maida P Galvez, Kathleen McGovern, Susan L Teitelbaum, Gayle Windham, Mary S Wolff. Neighborhood Factors and Urinary Metabolites of Nicotine, Phthalates, and Dichlorobenzene. Pediatrics. 2018 01; 141(Suppl 1):S87-S95. doi: 10.1542/peds.2017-1026l. [PMID: 29292309]
  • Yudan Wei, Jianmin Zhu. Para-Dichlorobenzene Exposure Is Associated with Thyroid Dysfunction in US Adolescents. The Journal of pediatrics. 2016 10; 177(?):238-243. doi: 10.1016/j.jpeds.2016.06.085. [PMID: 27476635]
  • Yudan Wei, Jianmin Zhu. Urinary concentrations of 2,5-dichlorophenol and diabetes in US adults. Journal of exposure science & environmental epidemiology. 2016 May; 26(3):329-33. doi: 10.1038/jes.2015.19. [PMID: 25827312]
  • Yudan Wei, Jianmin Zhu. Associations between urinary concentrations of 2,5-dichlorophenol and metabolic syndrome among non-diabetic adults. Environmental science and pollution research international. 2016 Jan; 23(1):581-8. doi: 10.1007/s11356-015-5291-z. [PMID: 26330318]
  • Sean M Hays, Lesa L Aylward, Benjamin C Blount. Variation in urinary flow rates according to demographic characteristics and body mass index in NHANES: potential confounding of associations between health outcomes and urinary biomarker concentrations. Environmental health perspectives. 2015 Apr; 123(4):293-300. doi: 10.1289/ehp.1408944. [PMID: 25625328]
  • Deborah J Watkins, Kelly K Ferguson, Liza V Anzalota Del Toro, Akram N Alshawabkeh, José F Cordero, John D Meeker. Associations between urinary phenol and paraben concentrations and markers of oxidative stress and inflammation among pregnant women in Puerto Rico. International journal of hygiene and environmental health. 2015 Mar; 218(2):212-9. doi: 10.1016/j.ijheh.2014.11.001. [PMID: 25435060]
  • Melanie C Buser, H Edward Murray, Franco Scinicariello. Association of urinary phenols with increased body weight measures and obesity in children and adolescents. The Journal of pediatrics. 2014 Oct; 165(4):744-9. doi: 10.1016/j.jpeds.2014.06.039. [PMID: 25063718]
  • Elina Jerschow, Purvi Parikh, Aileen P McGinn, Gabriele de Vos, Sunit Jariwala, Golda Hudes, David Rosenstreich. Relationship between urine dichlorophenol levels and asthma morbidity. Annals of allergy, asthma & immunology : official publication of the American College of Allergy, Asthma, & Immunology. 2014 Jun; 112(6):511-518.e1. doi: 10.1016/j.anai.2014.03.011. [PMID: 24726197]
  • Xiaoyun Ye, Lee-Yang Wong, Xiaoliu Zhou, Antonia M Calafat. Urinary concentrations of 2,4-dichlorophenol and 2,5-dichlorophenol in the U.S. population (National Health and Nutrition Examination Survey, 2003-2010): trends and predictors. Environmental health perspectives. 2014 Apr; 122(4):351-5. doi: 10.1289/ehp.1306816. [PMID: 24451842]
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  • Hanne Frederiksen, Lise Aksglaede, Kaspar Sorensen, Ole Nielsen, Katharina M Main, Niels E Skakkebaek, Anders Juul, Anna-Maria Andersson. Bisphenol A and other phenols in urine from Danish children and adolescents analyzed by isotope diluted TurboFlow-LC-MS/MS. International journal of hygiene and environmental health. 2013 Nov; 216(6):710-20. doi: 10.1016/j.ijheh.2013.01.007. [PMID: 23491025]
  • Claire Philippat, Mary S Wolff, Antonia M Calafat, Xiaoyun Ye, Rebecca Bausell, Molly Meadows, Joanne Stone, Rémy Slama, Stephanie M Engel. Prenatal exposure to environmental phenols: concentrations in amniotic fluid and variability in urinary concentrations during pregnancy. Environmental health perspectives. 2013 Oct; 121(10):1225-31. doi: 10.1289/ehp.1206335. [PMID: 23942273]
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  • Claire Philippat, Marion Mortamais, Cécile Chevrier, Claire Petit, Antonia M Calafat, Xiaoyun Ye, Manori J Silva, Christian Brambilla, Isabelle Pin, Marie-Aline Charles, Sylvaine Cordier, Rémy Slama. Exposure to phthalates and phenols during pregnancy and offspring size at birth. Environmental health perspectives. 2012 Mar; 120(3):464-70. doi: 10.1289/ehp.1103634. [PMID: 21900077]
  • Ben J Friedman, Casey A Carlos, Veronica Richardson, Misha Rosenbach. A fatal case of mothball intoxication presenting with refractory pruritus and ichthyosis. Archives of dermatology. 2012 Mar; 148(3):404-5. doi: 10.1001/archdermatol.2011.2297. [PMID: 22431793]
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  • 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]
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  • Mary S Wolff, Susan L Teitelbaum, Susan M Pinney, Gayle Windham, Laura Liao, Frank Biro, Lawrence H Kushi, Chris Erdmann, Robert A Hiatt, Michael E Rybak, Antonia M Calafat. Investigation of relationships between urinary biomarkers of phytoestrogens, phthalates, and phenols and pubertal stages in girls. Environmental health perspectives. 2010 Jul; 118(7):1039-46. doi: 10.1289/ehp.0901690. [PMID: 20308033]
  • 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]
  • Xiaoyun Ye, Lee-Yang Wong, Lily T Jia, Larry L Needham, Antonia M Calafat. Stability of the conjugated species of environmental phenols and parabens in human serum. Environment international. 2009 Nov; 35(8):1160-3. doi: 10.1016/j.envint.2009.07.011. [PMID: 19665798]
  • Pao-Kuei Hsiao, Yi-Chang Lin, Tung-Sheng Shih, Yin-Mei Chiung. Effects of occupational exposure to 1,4-dichlorobenzene on hematologic, kidney, and liver functions. International archives of occupational and environmental health. 2009 Oct; 82(9):1077-85. doi: 10.1007/s00420-009-0398-5. [PMID: 19247685]
  • 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]
  • Xiaoyun Ye, Lily J Tao, Larry L Needham, Antonia M Calafat. Automated on-line column-switching HPLC-MS/MS method for measuring environmental phenols and parabens in serum. Talanta. 2008 Aug; 76(4):865-71. doi: 10.1016/j.talanta.2008.04.034. [PMID: 18656671]
  • Mary S Wolff, Stephanie M Engel, Gertrud S Berkowitz, Xiaoyun Ye, Manori J Silva, Chenbo Zhu, James Wetmur, Antonia M Calafat. Prenatal phenol and phthalate exposures and birth outcomes. Environmental health perspectives. 2008 Aug; 116(8):1092-7. doi: 10.1289/ehp.11007. [PMID: 18709157]
  • Xiaoyun Ye, Amber M Bishop, John A Reidy, Larry L Needham, Antonia M Calafat. Temporal stability of the conjugated species of bisphenol A, parabens, and other environmental phenols in human urine. Journal of exposure science & environmental epidemiology. 2007 Sep; 17(6):567-72. doi: 10.1038/sj.jes.7500566. [PMID: 17410114]
  • Mary S Wolff, Susan L Teitelbaum, Gayle Windham, Susan M Pinney, Julie A Britton, Carol Chelimo, James Godbold, Frank Biro, Lawrence H Kushi, Christine M Pfeiffer, Antonia M Calafat. Pilot study of urinary biomarkers of phytoestrogens, phthalates, and phenols in girls. Environmental health perspectives. 2007 Jan; 115(1):116-21. doi: 10.1289/ehp.9488. [PMID: 17366830]
  • Raymond Cheong, Robin K Wilson, Irene C M Cortese, David E Newman-Toker. Mothball withdrawal encephalopathy: case report and review of paradichlorobenzene neurotoxicity. Substance abuse. 2006 Dec; 27(4):63-7. doi: 10.1300/j465v27n04_08. [PMID: 17347127]
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  • Xiaoyun Ye, Zsuzsanna Kuklenyik, Larry L Needham, Antonia M Calafat. Quantification of urinary conjugates of bisphenol A, 2,5-dichlorophenol, and 2-hydroxy-4-methoxybenzophenone in humans by online solid phase extraction-high performance liquid chromatography-tandem mass spectrometry. Analytical and bioanalytical chemistry. 2005 Oct; 383(4):638-44. doi: 10.1007/s00216-005-0019-4. [PMID: 16132150]
  • 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]
  • 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]
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