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Substrate Report for: Terephthalic-acid

Name Class
Terephthalic-acidTypeTerephthalate
Phthalate
Other_Name (8)
Chemical_Nomenclatureterephthalic acid
FormulaC8H6O4
CAS_number100-21-0
MW166.13
Commentproduct of hydrolysis of Polyethylene-terephthalate. Polyethylene terephthalate is the most common thermoplastic polymer resin of the polyester family and is used in fibers for clothing, containers for liquids and foods. Terephthalate(2-) is the dianion obtained by the deprotonation of the carboxy groups of terephthalic acid. Degradation of PET using hydrolytic enzymes leads to the release of hydrolysis products such as BHET (bis(2-hydroxyethyl) terephthalate), MHET (mono-(2-hydroxyethyl) terephthalic acid), TPA (terephthalic acid) and EG (ethylene glycol)
CID7489
InChIKeyKKEYFWRCBNTPAC-UHFFFAOYSA-N
CanonicalSMILESC1=CC(=CC=C1C(=O)O)C(=O)O
InChIInChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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