Monomethyl phthalate (BioDeep_00000412969)

PANOMIX_OTCML-2023 Industrial Pollutants Volatile Flavor Compounds

代谢物信息卡片

2-(Methoxycarbonyl)benzoic acid

化学式: C9H8O4 (180.0422568)
中文名称: 邻苯二甲酸单甲酯, 2-（甲氧基羰基）苯甲酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC(=O)C1=C(C=CC=C1)C(O)=O
InChI: InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3340; ORIGINAL_PRECURSOR_SCAN_NO 3338
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3339; ORIGINAL_PRECURSOR_SCAN_NO 3338
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3341; ORIGINAL_PRECURSOR_SCAN_NO 3339
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3330; ORIGINAL_PRECURSOR_SCAN_NO 3328
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3443; ORIGINAL_PRECURSOR_SCAN_NO 3442
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3367; ORIGINAL_PRECURSOR_SCAN_NO 3365
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9985; ORIGINAL_PRECURSOR_SCAN_NO 9984
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10013; ORIGINAL_PRECURSOR_SCAN_NO 10012
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10036; ORIGINAL_PRECURSOR_SCAN_NO 10033
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9427; ORIGINAL_PRECURSOR_SCAN_NO 9424
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10033; ORIGINAL_PRECURSOR_SCAN_NO 10030
CONFIDENCE standard compound; INTERNAL_ID 437; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10076; ORIGINAL_PRECURSOR_SCAN_NO 10074
Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1].
Monomethyl phthalate is a phthalate metabolite. Monomethyl phthalate acts as a urinary biomarker of phthalates exposure and can be used as a standard for the determination of thyroid cancer and benign nodule[1].

同义名列表

4 个代谢物同义名

2-(Methoxycarbonyl)benzoic acid; Monomethyl phthalate; MMPA; 2-(Methoxycarbonyl)benzoic acid

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:89749
PubChem: 20392
ChEMBL: CHEMBL243609
CAS: 4376-18-5
MoNA: LU043756
MoNA: LU043755
MoNA: LU043754
MoNA: LU043753
MoNA: LU043752
MoNA: LU043751
MoNA: LU043706
MoNA: LU043705
MoNA: LU043704
MoNA: LU043703
MoNA: LU043702
MoNA: LU043701
RefMet: Monomethyl phthalate
medchemexpress: HY-Y1097

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

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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。

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文献列表

Jiali Gu, Heng Zhao, Lu Liu, Dan Yang, Hong Chen, Ting Sun. Investigation of the binding interactions between dimethyl phthalate and its metabolite with bovine serum albumin by multispectroscopy. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 2020 Mar; 228(?):117771. doi: 10.1016/j.saa.2019.117771. [PMID: 31727520]
Garthika Navaranjan, Tim K Takaro, Amanda J Wheeler, Miriam L Diamond, Huan Shu, Meghan B Azad, Allan B Becker, Ruixue Dai, Shelley A Harris, Diana L Lefebvre, Zihang Lu, Piush J Mandhane, Kathleen McLean, Theo J Moraes, James A Scott, Stuart E Turvey, Malcolm R Sears, Padmaja Subbarao, Jeffrey R Brook. Early life exposure to phthalates in the Canadian Healthy Infant Longitudinal Development (CHILD) study: a multi-city birth cohort. Journal of exposure science & environmental epidemiology. 2020 01; 30(1):70-85. doi: 10.1038/s41370-019-0182-x. [PMID: 31641275]
Prajakta Parag Pednekar, Rahul Krishnaji Gajbhiye, Anushree D Patil, Suchitra Vishwambhar Surve, Ajit Ganesh Datar, Geetha Dharmesh Balsarkar, Anahita R Chuahan, Geeta Ramesh Vanage. Estimation of plasma levels of bisphenol-A & phthalates in fertile & infertile women by gas chromatography-mass spectrometry. The Indian journal of medical research. 2018 Dec; 148(6):734-742. doi: 10.4103/ijmr.ijmr_2077_16. [PMID: 30778008]
Ronit Machtinger, Jia Zhong, Abdallah Mansur, Michal Adir, Catherine Racowsky, Russ Hauser, Kasey Brennan, Oskar Karlsson, Andrea A Baccarelli. Placental lncRNA Expression Is Associated With Prenatal Phthalate Exposure. Toxicological sciences : an official journal of the Society of Toxicology. 2018 05; 163(1):116-122. doi: 10.1093/toxsci/kfy013. [PMID: 29385630]
Po-Chin Huang, Kai-Wei Liao, Jung-Wei Chang, Shiou-Hui Chan, Ching-Chang Lee. Characterization of phthalates exposure and risk for cosmetics and perfume sales clerks. Environmental pollution (Barking, Essex : 1987). 2018 Feb; 233(?):577-587. doi: 10.1016/j.envpol.2017.10.079. [PMID: 29102888]
Dan Hu, Yi-Xin Wang, Wen-Jing Chen, Yu Zhang, Hong-Hui Li, Li Xiong, Hui-Ping Zhu, Hong-Yan Chen, Song-Xu Peng, Zhi-Hua Wan, Yan Zhang, Yu-Kai Du. Associations of phthalates exposure with attention deficits hyperactivity disorder: A case-control study among Chinese children. Environmental pollution (Barking, Essex : 1987). 2017 Oct; 229(?):375-385. doi: 10.1016/j.envpol.2017.05.089. [PMID: 28614761]
Han-Bin Huang, Chia-Jui Chuang, Pen-Hua Su, Chien-Wen Sun, Chien-Jen Wang, Ming-Tsang Wu, Shu-Li Wang. Prenatal and Childhood Exposure to Phthalate Diesters and Thyroid Function in a 9-Year Follow-up Birth Cohort Study: Taiwan Maternal and Infant Cohort Study. Epidemiology (Cambridge, Mass.). 2017 10; 28 Suppl 1(?):S10-S18. doi: 10.1097/ede.0000000000000722. [PMID: 29028671]
Tansit Saengkaew, Chutima Jantarat, Wichit Nosoognoen, Vichit Supornsilchai. Association between urinary phthalates and metabolic abnormalities in obese Thai children and adolescents. Journal of pediatric endocrinology & metabolism : JPEM. 2017 Aug; 30(9):931-938. doi: 10.1515/jpem-2017-0172. [PMID: 28771440]
Wei-Hsiang Chang, Meng-Hsing Wu, Hsien-An Pan, Pao-Lin Guo, Ching-Chang Lee. Semen quality and insulin-like factor 3: Associations with urinary and seminal levels of phthalate metabolites in adult males. Chemosphere. 2017 Apr; 173(?):594-602. doi: 10.1016/j.chemosphere.2017.01.056. [PMID: 28152410]
Chien-Yu Lin, Pau-Chung Chen, Chia-Jung Hsieh, Chao-Yu Chen, Anren Hu, Fung-Chang Sung, Hui-Ling Lee, Ta-Chen Su. Positive Association between Urinary Concentration of Phthalate Metabolites and Oxidation of DNA and Lipid in Adolescents and Young Adults. Scientific reports. 2017 03; 7(?):44318. doi: 10.1038/srep44318. [PMID: 28290483]
Xialin Hu, Yunyun Gu, Wenping Huang, Daqiang Yin. Phthalate monoesters as markers of phthalate contamination in wild marine organisms. Environmental pollution (Barking, Essex : 1987). 2016 Nov; 218(?):410-418. doi: 10.1016/j.envpol.2016.07.020. [PMID: 27435611]
Jia-Woei Hou, Ching-Ling Lin, Yen-An Tsai, Chia-Huang Chang, Kai-Wei Liao, Ching-Jung Yu, Winnie Yang, Ming-Jun Lee, Po-Chin Huang, Chien-Wen Sun, Yin-Han Wang, Fang-Ru Lin, Wen-Chiu Wu, Meng-Chih Lee, Wen-Harn Pan, Bai-Hsiun Chen, Ming-Tsang Wu, Chu-Chih Chen, Shu-Li Wang, Ching-Chang Lee, Chao Agnes Hsiung, Mei-Lien Chen. The effects of phthalate and nonylphenol exposure on body size and secondary sexual characteristics during puberty. International journal of hygiene and environmental health. 2015 Oct; 218(7):603-15. doi: 10.1016/j.ijheh.2015.06.004. [PMID: 26163779]
Di Mu, Fumei Gao, Zhanlan Fan, Huan Shen, Hui Peng, Jianying Hu. Levels of Phthalate Metabolites in Urine of Pregnant Women and Risk of Clinical Pregnancy Loss. Environmental science & technology. 2015 Sep; 49(17):10651-7. doi: 10.1021/acs.est.5b02617. [PMID: 26251123]
Han-Bin Huang, Hsin-Yi Chen, Pen-Hua Su, Po-Chin Huang, Chien-Wen Sun, Chien-Jen Wang, Hsiao-Yen Chen, Chao A Hsiung, Shu-Li Wang. Fetal and Childhood Exposure to Phthalate Diesters and Cognitive Function in Children Up to 12 Years of Age: Taiwanese Maternal and Infant Cohort Study. PloS one. 2015; 10(6):e0131910. doi: 10.1371/journal.pone.0131910. [PMID: 26121592]
Xi Chen, Jing Ma, Hao Yu, Ling Leng, Qinghong Zhou, Zengrong Sun, Naijun Tang. [Study on the association between maternal urinary phthalate metabolites and testicular steroid hormones in the cord blood in a Chinese population]. Zhonghua yu fang yi xue za zhi [Chinese journal of preventive medicine]. 2014 Mar; 48(3):167-71. doi: NULL. [PMID: 24844827]
Liangpo Liu, Tongwei Xia, Lihua Guo, Lanyu Cao, Benhua Zhao, Jie Zhang, Sijun Dong, Heqing Shen. Expressing urine from a gel disposable diaper for biomonitoring using phthalates as an example. Journal of exposure science & environmental epidemiology. 2012 Nov; 22(6):625-31. doi: 10.1038/jes.2012.51. [PMID: 22643239]
Joshua F Robinson, Aart Verhoef, Vincent A van Beelen, Jeroen L A Pennings, Aldert H Piersma. Dose-response analysis of phthalate effects on gene expression in rat whole embryo culture. Toxicology and applied pharmacology. 2012 Oct; 264(1):32-41. doi: 10.1016/j.taap.2012.07.015. [PMID: 22841773]
Jessie P Buckley, Rachel T Palmieri, Jeanine M Matuszewski, Amy H Herring, Donna D Baird, Katherine E Hartmann, Jane A Hoppin. Consumer product exposures associated with urinary phthalate levels in pregnant women. Journal of exposure science & environmental epidemiology. 2012 Sep; 22(5):468-75. doi: 10.1038/jes.2012.33. [PMID: 22760436]
Mei Chen, Lin Tao, Erin M Collins, Christine Austin, Chensheng Lu. Simultaneous determination of multiple phthalate metabolites and bisphenol-A in human urine by liquid chromatography-tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2012 Sep; 904(?):73-80. doi: 10.1016/j.jchromb.2012.07.022. [PMID: 22884473]
P Monica Lind, Björn Zethelius, Lars Lind. Circulating levels of phthalate metabolites are associated with prevalent diabetes in the elderly. Diabetes care. 2012 Jul; 35(7):1519-24. doi: 10.2337/dc11-2396. [PMID: 22498808]
Lena Olsén, Lars Lind, P Monica Lind. Associations between circulating levels of bisphenol A and phthalate metabolites and coronary risk in the elderly. Ecotoxicology and environmental safety. 2012 Jun; 80(?):179-83. doi: 10.1016/j.ecoenv.2012.02.023. [PMID: 22421452]
P Monica Lind, Vendela Roos, Monika Rönn, Lars Johansson, Håkan Ahlström, Joel Kullberg, Lars Lind. Serum concentrations of phthalate metabolites are related to abdominal fat distribution two years later in elderly women. Environmental health : a global access science source. 2012 Apr; 11(?):21. doi: 10.1186/1476-069x-11-21. [PMID: 22472124]
Lena Olsén, Erik Lampa, Detlef A Birkholz, Lars Lind, P Monica Lind. Circulating levels of bisphenol A (BPA) and phthalates in an elderly population in Sweden, based on the Prospective Investigation of the Vasculature in Uppsala Seniors (PIVUS). Ecotoxicology and environmental safety. 2012 Jan; 75(1):242-8. doi: 10.1016/j.ecoenv.2011.09.004. [PMID: 21955883]
P Monica Lind, Lars Lind. Circulating levels of bisphenol A and phthalates are related to carotid atherosclerosis in the elderly. Atherosclerosis. 2011 Sep; 218(1):207-13. doi: 10.1016/j.atherosclerosis.2011.05.001. [PMID: 21621210]
Ruthann A Rudel, Janet M Gray, Connie L Engel, Teresa W Rawsthorne, Robin E Dodson, Janet M Ackerman, Jeanne Rizzo, Janet L Nudelman, Julia Green Brody. Food packaging and bisphenol A and bis(2-ethyhexyl) phthalate exposure: findings from a dietary intervention. Environmental health perspectives. 2011 Jul; 119(7):914-20. doi: 10.1289/ehp.1003170. [PMID: 21450549]
Justin A Colacino, Amr S Soliman, Antonia M Calafat, Muna S Nahar, Adrienne Van Zomeren-Dohm, Ahmed Hablas, Ibrahim A Seifeldin, Laura S Rozek, Dana C Dolinoy. Exposure to phthalates among premenstrual girls from rural and urban Gharbiah, Egypt: a pilot exposure assessment study. Environmental health : a global access science source. 2011 May; 10(?):40. doi: 10.1186/1476-069x-10-40. [PMID: 21575223]
Ying Guo, Husam Alomirah, Hyeon-Seo Cho, Tu Binh Minh, Mustafa Ali Mohd, Haruhiko Nakata, Kurunthachalam Kannan. Occurrence of phthalate metabolites in human urine from several Asian countries. Environmental science & technology. 2011 Apr; 45(7):3138-44. doi: 10.1021/es103879m. [PMID: 21395215]
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Erin P Hines, Antonia M Calafat, Manori J Silva, Pauline Mendola, Suzanne E Fenton. Concentrations of phthalate metabolites in milk, urine, saliva, and Serum of lactating North Carolina women. Environmental health perspectives. 2009 Jan; 117(1):86-92. doi: 10.1289/ehp.11610. [PMID: 19165392]
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Johan Högberg, Annika Hanberg, Marika Berglund, Staffan Skerfving, Mikael Remberger, Antonia M Calafat, Agneta Falk Filipsson, Bo Jansson, Niklas Johansson, Malin Appelgren, Helen Håkansson. Phthalate diesters and their metabolites in human breast milk, blood or serum, and urine as biomarkers of exposure in vulnerable populations. Environmental health perspectives. 2008 Mar; 116(3):334-9. doi: 10.1289/ehp.10788. [PMID: 18335100]
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Po-Chin Huang, Pao-Lin Kuo, Yue-Liang Guo, Pao-Chi Liao, Ching-Chang Lee. Associations between urinary phthalate monoesters and thyroid hormones in pregnant women. Human reproduction (Oxford, England). 2007 Oct; 22(10):2715-22. doi: 10.1093/humrep/dem205. [PMID: 17704099]
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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]
Tina Mose, Gerda K Mortensen, Morten Hedegaard, Lisbeth E Knudsen. Phthalate monoesters in perfusate from a dual placenta perfusion system, the placenta tissue and umbilical cord blood. Reproductive toxicology (Elmsford, N.Y.). 2007 Jan; 23(1):83-91. doi: 10.1016/j.reprotox.2006.08.006. [PMID: 17049806]
Russ Hauser, John D Meeker, Susan Duty, Manori J Silva, Antonia M Calafat. Altered semen quality in relation to urinary concentrations of phthalate monoester and oxidative metabolites. Epidemiology (Cambridge, Mass.). 2006 Nov; 17(6):682-91. doi: 10.1097/01.ede.0000235996.89953.d7. [PMID: 17003688]
Manori J Silva, John A Reidy, Ella Samandar, Arnetra R Herbert, Larry L Needham, Antonia M Calafat. Detection of phthalate metabolites in human saliva. Archives of toxicology. 2005 Nov; 79(11):647-52. doi: 10.1007/s00204-005-0674-4. [PMID: 15995852]
Susan M Duty, Robin M Ackerman, Antonia M Calafat, Russ Hauser. Personal care product use predicts urinary concentrations of some phthalate monoesters. Environmental health perspectives. 2005 Nov; 113(11):1530-5. doi: 10.1289/ehp.8083. [PMID: 16263507]
Shanna H Swan, Katharina M Main, Fan Liu, Sara L Stewart, Robin L Kruse, Antonia M Calafat, Catherine S Mao, J Bruce Redmon, Christine L Ternand, Shannon Sullivan, J Lynn Teague. Decrease in anogenital distance among male infants with prenatal phthalate exposure. Environmental health perspectives. 2005 Aug; 113(8):1056-61. doi: 10.1289/ehp.8100. [PMID: 16079079]
Russ Hauser, John D Meeker, Sohee Park, Manori J Silva, Antonia M Calafat. Temporal variability of urinary phthalate metabolite levels in men of reproductive age. Environmental health perspectives. 2004 Dec; 112(17):1734-40. doi: 10.1289/ehp.7212. [PMID: 15579421]
Manori J Silva, Nicole A Malek, Carolyn C Hodge, John A Reidy, Kayoko Kato, Dana B Barr, Larry L Needham, John W Brock. Improved quantitative detection of 11 urinary phthalate metabolites in humans using liquid chromatography-atmospheric pressure chemical ionization tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2003 Jun; 789(2):393-404. doi: 10.1016/s1570-0232(03)00164-8. [PMID: 12742130]
Susan M Duty, Manori J Silva, Dana B Barr, John W Brock, Louise Ryan, Zuying Chen, Robert F Herrick, David C Christiani, Russ Hauser. Phthalate exposure and human semen parameters. Epidemiology (Cambridge, Mass.). 2003 May; 14(3):269-77. doi: NULL. [PMID: 12859026]