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Substrate Report for: 2HE(MHET)2

one subunit of BHET and one subunit of MHET (PET dimer)


General
Type Polymer, Polyester, Terephthalate, Aromatic polyester
Chemical_Nomenclature 4-O-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethyl] 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
Canonical SMILES C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCO
InChI InChI=1S/C22H22O10/c23-9-11-29-19(25)15-1-5-17(6-2-15)21(27)31-13-14-32-22(28)18-7-3-16(4-8-18)20(26)30-12-10-24/h1-8,23-24H,9-14H2
InChIKey SMNDVBDBKRCKDY-UHFFFAOYSA-N
Other name(s) 1,2-Bis(p-(2-hydroxyethoxycarbonyl)benzoyloxy)ethane ; UNII-SUY5TYP54E ; SUY5TYP54E ; 2-HE(MHET)2 ; dimeric PET ; Ethylene glycol terephthalate (3:2)
________________________________________________________________________________________________
MW|446.4
Formula|C22H22O10
CAS_number|2144-69-6
PubChem|12361634
UniChem|SMNDVBDBKRCKDY-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 2HE(MHET)2 ligand of proteins in family: Polyesterase-lipase-cutinase

References:
Search PubMed for references concerning: 2HE(MHET)2
    Title: Degradation of PET Bottles by an Engineered Ideonella sakaiensis PETase
    Sevilla ME, Garcia MD, Perez-Castillo Y, Armijos-Jaramillo V, Casado S, Vizuete K, Debut A, Cerda-Mejia L
    Ref: Polymers (Basel), 15:1779, 2023 : PubMed

            

    Title: Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation
    Joo S, Cho IJ, Seo H, Son HF, Sagong HY, Shin TJ, Choi SY, Lee SY, Kim KJ
    Ref: Nat Commun, 9:382, 2018 : PubMed

            

    Title: PET from Used Beverage Bottles: A Material for Preparation of Biologically Degradable Copolyesters
    Vitasek J, Sasek V, Prokopova I
    Ref: J. Polym. Environ, 20:618, 2012 : PubMed