DIMETHYL TEREPHTHALATE (BioDeep_00000272610)

   

Industrial Pollutants


代谢物信息卡片


DIMETHYL TEREPHTHALATE

化学式: C10H10O4 (194.057906)
中文名称: 对苯二甲酸二甲酯
谱图信息: 最多检出来源 Viridiplantae(plant) 50%

分子结构信息

SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
InChI: InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3

描述信息

D004785 - Environmental Pollutants > D012989 - Soil Pollutants
D010575 - Pesticides > D007302 - Insect Repellents
D020011 - Protective Agents
D016573 - Agrochemicals
CONFIDENCE standard compound; INTERNAL_ID 783; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10066; ORIGINAL_PRECURSOR_SCAN_NO 10061
CONFIDENCE standard compound; INTERNAL_ID 783; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10085
CONFIDENCE standard compound; INTERNAL_ID 783; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10163; ORIGINAL_PRECURSOR_SCAN_NO 10160
CONFIDENCE standard compound; INTERNAL_ID 783; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10132; ORIGINAL_PRECURSOR_SCAN_NO 10128

同义名列表

2 个代谢物同义名

DIMETHYL TEREPHTHALATE; DMT



数据库引用编号

10 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)

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

  • Maria Sofia Molonia, Claudia Muscarà, Antonio Speciale, Federica Lina Salamone, Giovanni Toscano, Antonella Saija, Francesco Cimino. The p-Phthalates Terephthalic Acid and Dimethyl Terephthalate Used in the Manufacture of PET Induce In Vitro Adipocytes Dysfunction by Altering Adipogenesis and Thermogenesis Mechanisms. Molecules (Basel, Switzerland). 2022 Nov; 27(21):. doi: 10.3390/molecules27217645. [PMID: 36364480]
  • Bushra Abdulkarim Moharam, Ibrahim Jantan, Juriyati Jalil, Fasihuddin Ahmad. Inhibitory effect of compounds from Goniothalamus tapis Miq. and Goniothalamus uvaroides King on platelet-activating factor receptor binding. Phytotherapy research : PTR. 2012 May; 26(5):687-91. doi: 10.1002/ptr.3620. [PMID: 22002630]
  • Gwendolyn L Ball, Clifton J McLellan, Virunya S Bhat. Toxicological review and oral risk assessment of terephthalic acid (TPA) and its esters: A category approach. Critical reviews in toxicology. 2012 Jan; 42(1):28-67. doi: 10.3109/10408444.2011.623149. [PMID: 22050403]
  • Céline Marie-Elise Gossner, Jørgen Schlundt, Peter Ben Embarek, Susan Hird, Danilo Lo-Fo-Wong, Jose Javier Ocampo Beltran, Keng Ngee Teoh, Angelika Tritscher. The melamine incident: implications for international food and feed safety. Environmental health perspectives. 2009 Dec; 117(12):1803-8. doi: 10.1289/ehp.0900949. [PMID: 20049196]
  • D S Patel, A J Desai, J D Desai. Biodegradation of dimethylterephthalate by Comamonas acidovorans D-4. Indian journal of experimental biology. 1998 Mar; 36(3):321-4. doi: ". [PMID: 9754068]
  • H D Heck, R W Tyl. The induction of bladder stones by terephthalic acid, dimethyl terephthalate, and melamine (2,4,6-triamino-s-triazine) and its relevance to risk assessment. Regulatory toxicology and pharmacology : RTP. 1985 Sep; 5(3):294-313. doi: 10.1016/0273-2300(85)90044-3. [PMID: 3903881]
  • H D Heck. Chemical urolithiasis 2. Thermodynamic aspects of bladder stone induction by terephthalic acid and dimethyl terephthalate in weanling Fischer-344 rats. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1981 Jul; 1(4):299-308. doi: 10.1016/s0272-0590(81)80036-x. [PMID: 7185577]
  • T Y Chin, R W Tyl, J A Popp, H D Heck. Chemical urolithiasis. 1. Characteristics of bladder stone induction by terephthalic acid and dimethyl terephthalate in weanling Fischer-344 rats. Toxicology and applied pharmacology. 1981 Apr; 58(2):307-21. doi: 10.1016/0041-008x(81)90435-x. [PMID: 7245203]
  • H A Heck, C L Kluwe. Microanalysis of urinary electrolytes and metabolites in rats ingesting dimethyl terephthalate. Journal of analytical toxicology. 1980 Sep; 4(5):222-6. doi: 10.1093/jat/4.5.222. [PMID: 7442134]
  • M Sano. Subcellular localizations of guanylate cyclase and 3',5'-cyclic nucleotide phosphodiesterase in sea urchin sperm. Biochimica et biophysica acta. 1976 Apr; 428(2):525-31. doi: 10.1016/0304-4165(76)90061-1. [PMID: 6049]