Terephthalic acid (BioDeep_00000001736)

 

Secondary id: BioDeep_00000405534

human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite Volatile Flavor Compounds natural product


代谢物信息卡片


benzene-1,4-dicarboxylic acid

化学式: C8H6O4 (166.0266076)
中文名称: 对苯二甲酸(PTA), 对苯二甲酸
谱图信息: 最多检出来源 Homo sapiens(blood) 0.04%

Reviewed

Last reviewed on 2024-07-29.

Cite this Page

Terephthalic acid. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/terephthalic_acid (retrieved 2024-11-22) (BioDeep RN: BioDeep_00000001736). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

分子结构信息

SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O
InChI: InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

描述信息

Terephthalic acid is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. It is a conjugate acid of a terephthalate(1-). Terephthalic acid is one isomer of the three phthalic acids. It finds important use as a commodity chemical, principally as a starting compound for the manufacture of polyester (specifically PET), used in clothing and to make plastic bottles. It is also known as 1,4-benzenedicarboxylic acid, and it has the chemical formula C6H4(COOH)2.
Terephthalic acid is one isomer of the three phthalic acids. It finds important use as a commodity chemical, principally as a starting compound for the manufacture of polyester (specifically PET), used in clothing and to make plastic bottles. It is also known as 1,4-benzenedicarboxylic acid, and it has the chemical formula C6H4(COOH)2. -- Wikipedia [HMDB]
CONFIDENCE standard compound; INTERNAL_ID 889; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3335; ORIGINAL_PRECURSOR_SCAN_NO 3333
CONFIDENCE standard compound; INTERNAL_ID 889; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3324; ORIGINAL_PRECURSOR_SCAN_NO 3322
CONFIDENCE standard compound; INTERNAL_ID 889; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3316; ORIGINAL_PRECURSOR_SCAN_NO 3314
CONFIDENCE standard compound; INTERNAL_ID 889; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3300; ORIGINAL_PRECURSOR_SCAN_NO 3298
CONFIDENCE standard compound; INTERNAL_ID 889; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3319; ORIGINAL_PRECURSOR_SCAN_NO 3316
D000975 - Antioxidants > D016166 - Free Radical Scavengers
D020011 - Protective Agents > D000975 - Antioxidants
KEIO_ID T100
Terephthalic acid is one isomer of the three phthalic, a precursor to the polyester PET, used to make clothing and plastic bottles.
Terephthalic acid is one isomer of the three phthalic, a precursor to the polyester PET, used to make clothing and plastic bottles.

同义名列表

21 个代谢物同义名

benzene-1,4-dicarboxylic acid; Para-benzenedicarboxylic acid; 1,4-Benzenedicarboxylic acid; Benzene-P-dicarboxylic acid; p-Benzenedicarboxylic acid; Para-benzenedicarboxylate; 1,4-Benzenedicarboxylate; Benzene-P-dicarboxylate; p-Benzenedicarboxylate; disodium terephthalate; Kyselina terftalova; P-Dicarboxybenzene; Terephthalic acid; p-Phthalic acid; P-Phthelic acid; Terephthalate; P-Phthelate; P-Phthalate; TPA; Terephthalate; Terephthalic acid



数据库引用编号

31 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)

24 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

  • Hanieh Kargarzadeh, Agnieszka Kobylińska, Małgorzata Antos-Bielska, Małgorzata Krzyżowska, Andrzej Gałęski. Exploring the potential of lignin nanoparticles in enhancing the mechanical, thermal, and bioactive properties of poly (butylene adipate-co-terephthalate). International journal of biological macromolecules. 2024 Mar; 262(Pt 1):129880. doi: 10.1016/j.ijbiomac.2024.129880. [PMID: 38307427]
  • Ayoub Kdimy, Seong Jong Kim, Zulfiqar Ali, Md Imdadul H Khan, Siddharth K Tripathi, Souad El Hajjaji, Hoang V Le. Isolation of Two Plasticizers, Bis(2-Ethylhexyl) Terephthalate and Bis(2-Ethylhexyl) Phthalate, from Capparis spinosa L. Leaves. Chemistry & biodiversity. 2023 Jul; ?(?):e202300903. doi: 10.1002/cbdv.202300903. [PMID: 37505806]
  • Jan Struckmann Poulsen, Alba Trueba-Santiso, Juan M Lema, Simon Gregersen Echers, Reinhard Wimmer, Jeppe Lund Nielsen. Assessing labelled carbon assimilation from poly butylene adipate-co-terephthalate (PBAT) monomers during thermophilic anaerobic digestion. Bioresource technology. 2023 Jul; 385(?):129430. doi: 10.1016/j.biortech.2023.129430. [PMID: 37399952]
  • Ben Dong, Xuefeng Wu, Siliang Wu, Hanke Li, Qi-Zhi Su, Dan Li, Qinbao Lin, Sheng Chen, Jianguo Zheng, Lei Zhu, Huai-Ning Zhong. Occurrence of volatile contaminants in recycled poly(ethylene terephthalate) by HS-SPME-GC×GC-QTOF-MS combined with chemometrics for authenticity assessment of geographical recycling regions. Journal of hazardous materials. 2023 03; 445(?):130407. doi: 10.1016/j.jhazmat.2022.130407. [PMID: 36444813]
  • Xiaoying Lin, Hongxin Xie, Yanfei Zhang, Xue Tian, Liwei Cui, Nianqiu Shi, Liming Wang, Jiating Zhao, Lihui An, Jing Wang, Bai Li, Yu-Feng Li. The toxicity of nano polyethylene terephthalate to mice: Intestinal obstruction, growth retardant, gut microbiota dysbiosis and lipid metabolism disorders. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 2023 Feb; 172(?):113585. doi: 10.1016/j.fct.2022.113585. [PMID: 36566972]
  • Xianbo Jia, Ke Zhao, Jie Zhao, Chenqiang Lin, Hui Zhang, Longjun Chen, Jichen Chen, Yu Fang. Degradation of poly(butylene adipate-co-terephthalate) films by Thermobifida fusca FXJ-1 isolated from compost. Journal of hazardous materials. 2023 01; 441(?):129958. doi: 10.1016/j.jhazmat.2022.129958. [PMID: 36122523]
  • 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]
  • Xue Wei, Tingshuo Ji, Shouren Zhang, Zhen Xue, Chenfang Lou, Mengyu Zhang, Sijing Zhao, Huili Liu, Xuming Guo, Baocheng Yang, Jian Chen. Cerium-terephthalic acid metal-organic frameworks for ratiometric fluorescence detecting and scavenging·OH from fuel combustion gas. Journal of hazardous materials. 2022 10; 439(?):129603. doi: 10.1016/j.jhazmat.2022.129603. [PMID: 35872454]
  • Jiaxi Liu, Peiyuan Wang, Yufan Wang, Yujia Zhang, Tengqi Xu, Yiqiong Zhang, Jiao Xi, Lijun Hou, Li Li, Zengqiang Zhang, Yanbing Lin. Negative effects of poly(butylene adipate-co-terephthalate) microplastics on Arabidopsis and its root-associated microbiome. Journal of hazardous materials. 2022 09; 437(?):129294. doi: 10.1016/j.jhazmat.2022.129294. [PMID: 35728316]
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  • Shedrack R Nayebare, Rajendiran Karthikraj, Kurunthachalam Kannan. Analysis of terephthalate metabolites in human urine by high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS). Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2018 Aug; 1092(?):473-479. doi: 10.1016/j.jchromb.2018.06.044. [PMID: 30008303]
  • Sharon Graminske, Kathleen Puca, Anna Schmidt, Scott Brooks, Amanda Boerner, Sybil Heldke, Monika de Arruda Indig, Mark Brucks, David Kossor. In vitro evaluation of di(2-ethylhexyl)terephthalate-plasticized polyvinyl chloride blood bags for red blood cell storage in AS-1 and PAGGSM additive solutions. Transfusion. 2018 05; 58(5):1100-1107. doi: 10.1111/trf.14583. [PMID: 29574766]
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  • Fuxian Cai, Qinghua Wang, Xiaoqian Chen, Weiwei Qiu, Fengping Zhan, Fei Gao, Qingxiang Wang. Selective binding of Pb2+ with manganese-terephthalic acid MOF/SWCNTs: Theoretical modeling, experimental study and electroanalytical application. Biosensors & bioelectronics. 2017 Dec; 98(?):310-316. doi: 10.1016/j.bios.2017.07.007. [PMID: 28697443]
  • Katharina Stenzel, Ming Jang Chua, Sandra Duffy, Yevgeniya Antonova-Koch, Stephan Meister, Alexandra Hamacher, Matthias U Kassack, Elizabeth Winzeler, Vicky M Avery, Thomas Kurz, Katherine T Andrews, Finn K Hansen. Design and Synthesis of Terephthalic Acid-Based Histone Deacetylase Inhibitors with Dual-Stage Anti-Plasmodium Activity. ChemMedChem. 2017 10; 12(19):1627-1636. doi: 10.1002/cmdc.201700360. [PMID: 28812327]
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