Mono-(2-ethyl-5-carboxypentyl) phthalate (BioDeep_00000087082)
human metabolite Industrial Pollutants
代谢物信息卡片
1,2-Benzenedicarboxylic acid, mono(5-carboxy-2-ethylpentyl) ester
化学式: C16H20O6 (308.125982)
中文名称: rac-单(2-乙基-5-羧基戊基)邻苯二甲酸酯, 邻苯二甲酸单(2-乙基-5-羧基戊基)酯
谱图信息:
最多检出来源 Homo sapiens(urine) 40%
分子结构信息
SMILES: CCC(CCCC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O
InChI: InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
描述信息
Mono-(2-ethyl-5-carboxypentyl) phthalate is also known as 2-ethyl-5-carboxypentyl phthalate, MECPP or phthalate, mono(5-carboxy-2-ethylpentyl) ester. It is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Mono-(2-ethyl-5-carboxypentyl) phthalate is considered to be practically insoluble (in water) and acidic. (ChemoSummarizer). It is a metabolite of mono(2-ethylhexyl) phthalate (MEHP) and a secondary metabolite of di(2-ethylhexyl) phthalate (DEHP).
同义名列表
13 个代谢物同义名
1,2-Benzenedicarboxylic acid, mono(5-carboxy-2-ethylpentyl) ester; 1,2-Benzenedicarboxylate, mono(5-carboxy-2-ethylpentyl) ester; 2-{[(5-carboxy-2-ethylpentyl)oxy]carbonyl}benzoic acid; Phthalic acid, mono(5-carboxy-2-ethylpentyl) ester; Phthalate, mono(5-carboxy-2-ethylpentyl) ester; mono-(2-Ethyl-5-carboxypentyl) phthalic acid; mono(5-Carboxy-2-ethylpentyl) phthalic acid; Mono-(2-ethyl-5-carboxypentyl) phthalate; Mono(5-carboxy-2-ethylpentyl) phthalate; 2-Ethyl-5-carboxypentyl phthalic acid; 2-Ethyl-5-carboxypentyl phthalate; MECPP; MECPPA
数据库引用编号
5 个数据库交叉引用编号
- ChEBI: CHEBI:132611
- PubChem: 148386
- HMDB: HMDB0094647
- CAS: 40809-41-4
- RefMet: Mono-(2-ethyl-5-carboxypentyl) phthalate
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
- Qi Xu, Shuang Ding, Wen Qi, Xueting Zhang, Meng Zhang, Jiqiang Xing, Aipeng Ju, Liting Zhou, Lin Ye. JAK3/STAT5b/PPARγ Pathway Mediates the Association between Di(2-ethylhexyl) Phthalate Exposure and Lipid Metabolic Disorder in Chinese Adolescent Students.
Chemical research in toxicology.
2023 Apr; ?(?):. doi:
10.1021/acs.chemrestox.2c00365. [PMID: 37093692] - Shuang Ding, Wen Qi, Qi Xu, Tianyang Zhao, Xu Li, Jianli Yin, Ruxuan Zhang, Chuanyi Huo, Liting Zhou, Lin Ye. Relationships between di-(2-ethylhexyl) phthalate exposure and lipid metabolism in adolescents: Human data and experimental rat model analyses.
Environmental pollution (Barking, Essex : 1987).
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10.1016/j.envpol.2021.117570. [PMID: 34438493] - Luchen Yang, Zhenghuan Liu, Zhufeng Peng, Pan Song, Jing Zhou, Linchun Wang, Junhao Chen, Qiang Dong. Exposure to Di-2-ethylhexyl Phthalate and Benign Prostatic Hyperplasia, NHANES 2001-2008.
Frontiers in endocrinology.
2021; 12(?):804457. doi:
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Environmental health : a global access science source.
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International journal of hygiene and environmental health.
2011 Dec; 215(1):36-45. doi:
10.1016/j.ijheh.2011.07.011. [PMID: 21889907] - John D Meeker, Kelly K Ferguson. Relationship between urinary phthalate and bisphenol A concentrations and serum thyroid measures in U.S. adults and adolescents from the National Health and Nutrition Examination Survey (NHANES) 2007-2008.
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2011 Oct; 119(10):1396-402. doi:
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2011 Aug; 119(8):1170-5. doi:
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Environmental research.
2011 Aug; 111(6):792-6. doi:
10.1016/j.envres.2011.05.015. [PMID: 21696718] - Lidia Casas, Mariana F Fernández, Sabrina Llop, Mònica Guxens, Ferran Ballester, Nicolás Olea, Mikel Basterrechea Irurzun, Loreto Santa Marina Rodríguez, Isolina Riaño, Adonina Tardón, Martine Vrijheid, Antonia M Calafat, Jordi Sunyer. Urinary concentrations of phthalates and phenols in a population of Spanish pregnant women and children.
Environment international.
2011 Jul; 37(5):858-66. doi:
10.1016/j.envint.2011.02.012. [PMID: 21440302] - Michelle Romero-Franco, Raúl U Hernández-Ramírez, Antonia M Calafat, Mariano E Cebrián, Larry L Needham, Susan Teitelbaum, Mary S Wolff, Lizbeth López-Carrillo. Personal care product use and urinary levels of phthalate metabolites in Mexican women.
Environment international.
2011 Jul; 37(5):867-71. doi:
10.1016/j.envint.2011.02.014. [PMID: 21429583] - 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] - Malene Boas, Hanne Frederiksen, Ulla Feldt-Rasmussen, Niels E Skakkebæk, Laszlo Hegedüs, Linda Hilsted, Anders Juul, Katharina M Main. Childhood exposure to phthalates: associations with thyroid function, insulin-like growth factor I, and growth.
Environmental health perspectives.
2010 Oct; 118(10):1458-64. doi:
10.1289/ehp.0901331. [PMID: 20621847] - Hanne Frederiksen, Niels Jørgensen, Anna-Maria Andersson. Correlations between phthalate metabolites in urine, serum, and seminal plasma from young Danish men determined by isotope dilution liquid chromatography tandem mass spectrometry.
Journal of analytical toxicology.
2010 Sep; 34(7):400-10. doi:
10.1093/jat/34.7.400. [PMID: 20822678] - Justin A Colacino, T Robert Harris, Arnold Schecter. Dietary intake is associated with phthalate body burden in a nationally representative sample.
Environmental health perspectives.
2010 Jul; 118(7):998-1003. doi:
10.1289/ehp.0901712. [PMID: 20392686] - 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] - Jennifer Weuve, Russ Hauser, Antonia M Calafat, Stacey A Missmer, Lauren A Wise. Association of exposure to phthalates with endometriosis and uterine leiomyomata: findings from NHANES, 1999-2004.
Environmental health perspectives.
2010 Jun; 118(6):825-32. doi:
10.1289/ehp.0901543. [PMID: 20185384] - Lizbeth López-Carrillo, Raúl U Hernández-Ramírez, Antonia M Calafat, Luisa Torres-Sánchez, Marcia Galván-Portillo, Larry L Needham, Rubén Ruiz-Ramos, Mariano E Cebrián. Exposure to phthalates and breast cancer risk in northern Mexico.
Environmental health perspectives.
2010 Apr; 118(4):539-44. doi:
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Environmental health perspectives.
2010 Feb; 118(2):291-6. doi:
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Environmental health perspectives.
2009 Oct; 117(10):1587-92. doi:
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Environment international.
2009 Feb; 35(2):353-7. doi:
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Environmental health perspectives.
2009 Feb; 117(2):185-9. doi:
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Environmental health perspectives.
2009 Jan; 117(1):86-92. doi:
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Environmental health perspectives.
2008 Aug; 116(8):1092-7. doi:
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Environmental health perspectives.
2008 Apr; 116(4):467-73. doi:
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2007 Jan; 210(1):21-33. doi:
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2007 Jan; 115(1):116-21. doi:
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2006 Nov; 114(11):1783-9. doi:
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2006 Aug; 114(8):1158-61. doi:
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2006 Feb; 219(1-3):22-32. doi:
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Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals.
2006 Jan; 11(1):1-13. doi:
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