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Substrate Report for: 3-PBT

model substrate for PETase


General
Type Terephthalate, Phthalate
Chemical_Nomenclature
Canonical SMILES C1=C(C=CC(=C1)C(OCCCCOC(C2=CC=CC=C2)=O)=O)C(OCCCCOC(C3=CC=CC=C3)=O)=O
InChI InChI=1S/C30H30O8/c31-27(23-11-3-1-4-12-23)35-19-7-9-21-37-29(33)25-15-17-26(18-16-25)30(34)38-22-10-8-20-36-28(32)24-13-5-2-6-14-24/h1-6,11-18H,7-10,19-22H2
InChIKey ZXHNXLXBSSGRPH-UHFFFAOYSA-N
Other name(s) bis(4-(benzoyloxy)butyl) terephthalate ; BaBTaBBa
________________________________________________________________________________________________
MW|518.56
Formula|C30H30O8
CAS_number|
PubChem|
UniChem|ZXHNXLXBSSGRPH-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 3-PBT ligand of proteins in family: Polyesterase-lipase-cutinase, Cutinase
Protein | 9zzzz-Ple629, humin-cut

References:
Search PubMed for references concerning: 3-PBT
    Title: Molecular and Biochemical Differences of the Tandem and Cold-Adapted PET Hydrolases Ple628 and Ple629, Isolated From a Marine Microbial Consortium
    Meyer-Cifuentes IE, Wu P, Zhao Y, Liu W, Neumann-Schaal M, Pfaff L, Barys J, Li Z, Gao J and Ozturk B <3 more author(s)>
    Ref: Front Bioeng Biotechnol, 10:930140, 2022 : PubMed

            

    Title: Substrate specificities of cutinases on aliphatic-aromatic polyesters and on their model substrates
    Perz V, Bleymaier K, Sinkel C, Kueper U, Bonnekessel M, Ribitsch D, Guebitz GM
    Ref: N Biotechnol, 33:295, 2016 : PubMed