4-PET
General
Type : Terephthalate, Phthalate, Polyester fragment, Polymer, Polyester, Aromatic polyester
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 || PET4 || SCHEMBL19235060 || 2HE(MHET)4 || 2-HE(MHET)4 || 2-hydroxyethyl-(monohydroxyethyl terephthalic acid)4 || tetrameric PET
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 (7)
| 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 : Structure and Energetics of PET-Hydrolyzing Enzyme Complexes: A Systematic Comparison from Molecular Dynamics Simulations - Berselli_2024_J.Chem.Inf.Model_64_8236 |
| Author(s) : Berselli A , Menziani MC , Muniz-Miranda F |
| Ref : J Chem Inf Model , 64 :8236 , 2024 |
| Abstract : |
| PubMedSearch : Berselli_2024_J.Chem.Inf.Model_64_8236 |
| PubMedID: 39432831 |
| Gene_locus related to this paper: idesa-peth |
| 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 |
| Title : Cation-pi and hydrophobic interaction controlled PET recognition in double mutated cutinase - identification of a novel binding subsite for better catalytic activity - James_2022_RSC.Adv_12_20563 |
| Author(s) : James A , De S |
| Ref : RSC Adv , 12 :20563 , 2022 |
| Abstract : |
| PubMedSearch : James_2022_RSC.Adv_12_20563 |
| PubMedID: 35919142 |
| Gene_locus related to this paper: thefu-q6a0i3 |
| Title : Conformational fitting of a flexible oligomeric substrate does not explain the enzymatic PET degradation - |
| Author(s) : Wei R , Song C , Grasing D , Schneider T , Bielytskyi P , Bottcher D , Matysik J , Bornscheuer UT , Zimmermann W |
| Ref : Nat Commun , 10 :5581 , 2019 |
| PubMedID: 31811142 |
| Title : Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation - Joo_2018_Nat.Commun_9_382 |
| Author(s) : Joo S , Cho IJ , Seo H , Son HF , Sagong HY , Shin TJ , Choi SY , Lee SY , Kim KJ |
| Ref : Nat Commun , 9 :382 , 2018 |
| Abstract : |
| PubMedSearch : Joo_2018_Nat.Commun_9_382 |
| PubMedID: 29374183 |
| Gene_locus related to this paper: idesa-peth |