Trifluoroacetic acid (BioDeep_00000026660)

   

human metabolite Endogenous blood metabolite BioNovoGene_Lab2019


代谢物信息卡片


Trifluoroacetic acid (acd/name 4.0)

化学式: C2HF3O2 (113.9928642)
中文名称: 三氟乙酸(TFA)
谱图信息: 最多检出来源 Homo sapiens(blood) 14.26%

分子结构信息

SMILES: C(=O)(C(F)(F)F)O
InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

描述信息

At a low concentration, trifluoroacetic acid (TFA) is used as an ion pairing agent in liquid chromatography (HPLC) of organic compounds, particularly peptides and small proteins. TFA is a versatile solvent for NMR spectroscopy (for materials stable in acid). It is also used as a calibrant in mass spectrometry. TFA is the precursor to many other fluorinated compounds such as trifluoroacetic anhydride and 2,2,2-trifluoroethanol. It is a reagent used in organic synthesis because of a combination of convenient properties: volatility, solubility in organic solvents, and its strength as an acid. TFA is also less oxidizing than sulfuric acid but more readily available in anhydrous form than many other acids. One complication to its use is that TFA forms an azeotrope with water (b. p. 105°C). TFA is the simplest stable perfluorinated carboxylic acid chemical compound, with the formula CF3CO2H. It is a strong carboxylic acid due to the influence of the electronegative trifluoromethyl group. TFA is almost 100,000-fold more acidic than acetic acid. TFA is widely used in organic chemistry.
COVID info from PDB, Protein Data Bank
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Coronavirus
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COVID-19
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SARS

同义名列表

17 个代谢物同义名

Trifluoroacetic acid (acd/name 4.0); Trifluoroacetate, cesium; Acide trifluoroacetique; cesium trifluoroacetate; Kyselina trifluoroctova; Trifluoroethanoic acid; Acid, trifluoroacetic; Trifluoro-acetic acid; Perfluoroacetic acid; Trifluoroacetic acid; Trifluoracetic acid; Trifluoressigsaeure; Trifluoressigsaure; Perfluoroacetate; Trifluoroacetate; CF3COOH; TFA



数据库引用编号

9 个数据库交叉引用编号

分类词条

相关代谢途径

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代谢反应

0 个相关的代谢反应过程信息。

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Plant Reactome(0)

INOH(0)

PlantCyc(0)

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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。

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文献列表

  • Yasuhiko Izumi, Harue Kataoka, Yuki Takada-Takatori, Yutaka Koyama, Kazuhiro Irie, Akinori Akaike, Toshiaki Kume. Isolation and Purification of Harpagogenin as an Nrf2-ARE Activator from the Tubers of Chinese Artichoke (Stachys sieboldii). Biological & pharmaceutical bulletin. 2023; 46(11):1576-1582. doi: 10.1248/bpb.b23-00383. [PMID: 37914360]
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  • Marco Scheurer, Karsten Nödler. Ultrashort-chain perfluoroalkyl substance trifluoroacetate (TFA) in beer and tea - An unintended aqueous extraction. Food chemistry. 2021 Jul; 351(?):129304. doi: 10.1016/j.foodchem.2021.129304. [PMID: 33657499]
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  • Walmik Karbhari Gaikwad, Kisan M Kodam, Rajeev M Dhere, Swapan K Jana, Manish Gautam, Asha D Mallya, Dipen Soni, Sudhakar Bhagade, Ashishkumar Gulahne. Simultaneous purification and depolymerization of Streptococcus pneumoniae serotype 2 capsular polysaccharides by trifluoroacetic acid. Carbohydrate polymers. 2021 Jun; 261(?):117859. doi: 10.1016/j.carbpol.2021.117859. [PMID: 33766348]
  • Bassam Lajin, Walter Goessler. Fluorinated carboxylic acids as 'ion repelling agents' in reversed-phase chromatography. Journal of chromatography. A. 2020 Nov; 1631(?):461575. doi: 10.1016/j.chroma.2020.461575. [PMID: 32987313]
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  • Xiuwei Shen, Fan Chen, Fengwei Wang, Peng Huang, Wenchao Luo. The Effect of Grapefruit Juice on the Pharmacokinetics of Tadalafil in Rats. BioMed research international. 2020; 2020(?):1631735. doi: 10.1155/2020/1631735. [PMID: 32047806]
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