4-PEF
General
Type : Polymer, Polyester, Furanoate
Chemical_Nomenclature :
Canonical SMILES : C1=C(OC(=C1)C(OCCOC(C2=CC=C(O2)C(O)=O)=O)=O)C(OCCOC(C3=CC=C(O3)C(=O)OCCOC(C4=CC=C(O4)C(OCCO)=O)=O)=O)=O
InChI : InChI=1S\/C32H26O21\/c33-9-10-43-26(36)19-3-4-20(51-19)28(38)46-13-14-47-30(40)23-7-8-24(53-23)32(42)49-16-15-48-31(41)22-6-5-21(52-22)29(39)45-12-11-44-27(37)18-2-1-17(50-18)25(34)35\/h1-8,33H,9-16H2,(H,34,35)
InChIKey : OYAFPBMQBQKDCS-UHFFFAOYSA-N
Other name(s) : PEF4 || PEF-4
Target
Structures : No structure
Families : Polyesterase-lipase-cutinase
References (1)
| 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 |