4-PET
General
Type : Terephthalate, Phthalate
Chemical_Nomenclature : 4-O-[2-[4-[2-[4-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxycarbonyl]benzoyl]oxyethoxycarbonyl]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)OCCOC(=O)C3=CC=C(C=C3)C(=O)OCCOC(=O)C4=CC=C(C=C4)C(=O)OCCO
InChI : InChI=1S\/C42H38O18\/c43-17-19-53-35(45)27-1-5-29(6-2-27)37(47)55-21-23-57-39(49)31-9-13-33(14-10-31)41(51)59-25-26-60-42(52)34-15-11-32(12-16-34)40(50)58-24-22-56-38(48)30-7-3-28(4-8-30)36(46)54-20-18-44\/h1-16,43-44H,17-26H2
InChIKey : AXPYQJRPLUZWOH-UHFFFAOYSA-N
Other name(s) : Linear pet tetramer + EG, 1ST series || 4PET || SCHEMBL19235060
MW : 830.7
Formula : C42H38O18
CAS_number : 34298-51-6
PubChem : 130323426
UniChem : AXPYQJRPLUZWOH-UHFFFAOYSA-N
Target
Structures : No structure
Families : Polyesterase-lipase-cutinase, PAF-Acetylhydrolase
References (2)
| Title : Unveiling potential PET degrading eukaryotes through in silico bioprospecting of PETases - Mendez-Zamora_2024_Sci.Total.Environ_948_174978 |
| Author(s) : Mendez-Zamora A , Diaz-Vidal T , Robles-Machuca M , Pereira-Santana A , Casas-Godoy L |
| Ref : Sci Total Environ , 948 :174978 , 2024 |
| Abstract : |
| PubMedSearch : Mendez-Zamora_2024_Sci.Total.Environ_948_174978 |
| PubMedID: 39047840 |
| Gene_locus related to this paper: 9pezi-a0a6a6u1S0 , asptu-a0a8h3t4a4 , aspaw-a0a401klc3 , aspor-q2ud03 , 9euro-a0a146f3d6 , aspnc-a2qt70 |
| Title : On the Role of Temperature in the Depolymerization of PET by FAST-PETase: An Atomistic Point of View on Possible Active Site Pre-Organization and Substrate-Destabilization Effects - Orlando_2023_Chembiochem_24_e202300412 |
| Author(s) : Orlando C , Prejano M , Russo N , Marino T |
| Ref : Chembiochem , 24 :e202300412 , 2023 |
| Abstract : |
| PubMedSearch : Orlando_2023_Chembiochem_24_e202300412 |
| PubMedID: 37556192 |
| Gene_locus related to this paper: idesa-peth |