Monomethyl phthalate (BioDeep_00000018073)
Secondary id: BioDeep_00000412969, BioDeep_00000604161, BioDeep_00000868323
human metabolite PANOMIX_OTCML-2023 blood metabolite Industrial Pollutants Volatile Flavor Compounds
代谢物信息卡片
1,2-Benzenedicarboxylic acid monomethyl ester
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 Viridiplantae(plant) 21.23%
分子结构信息
SMILES: COC(=O)C1=CC=CC=C1C(=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
Monomethyl phthalate is a metabolite, or breakdown product, of dimethyl phthalate, used in insect repellant, plastic, and as a rocket propellant (http://www.ewg.org/sites/humantoxome/chemicals/chemical.php?chemid=100365). [HMDB]
Monomethyl phthalate is a metabolite, or breakdown product, of dimethyl phthalate, used in insect repellant, plastic, and as a rocket propellant.
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
12 个代谢物同义名
1,2-Benzenedicarboxylic acid monomethyl ester; Monomethyl 1,2-benzenedicarboxylate; 2-(Methoxycarbonyl)benzoic acid; O-(Methoxycarbonyl)benzoic acid; 2-(Methoxycarbonyl)benzoate; O-(Methoxycarbonyl)benzoate; Methyl hydrogen phthalate; Monomethyl phthalic acid; Monomethyl phthalate; Methyl phthalate; MMPA; 2-(Methoxycarbonyl)benzoic acid
数据库引用编号
10 个数据库交叉引用编号
- ChEBI: CHEBI:89749
- PubChem: 20392
- HMDB: HMDB0002130
- ChEMBL: CHEMBL243609
- foodb: FDB022858
- chemspider: 19207
- CAS: 4376-18-5
- PMhub: MS000002202
- RefMet: Monomethyl phthalate
- medchemexpress: HY-Y1097
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
- 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.
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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.
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