PCL-Triol
here is a model small substrate of a bigger polymer Polycaprolactone triol average Mn 300 37625-56-2
General
Type : Polymer, Polyester, Aliphatic polyester, Hexanoate
Chemical_Nomenclature : 2,2-bis(6-hydroxyhexanoyloxymethyl)butyl 6-hydroxyhexanoate
Canonical SMILES : CCC(COC(=O)CCCCCO)(COC(=O)CCCCCO)COC(=O)CCCCCO
InChI : InChI=1S\/C24H44O9\/c1-2-24(18-31-21(28)12-6-3-9-15-25,19-32-22(29)13-7-4-10-16-26)20-33-23(30)14-8-5-11-17-27\/h25-27H,2-20H2,1H3
InChIKey : MLBNINYKQXLHLB-UHFFFAOYSA-N
Other name(s) : DTXSID301221309 || RefChem:1096498 || DTXCID001652595 || POLYCAPROLACTONE TRIOL AVERAGE MN CA.
MW : 476.6
Formula : C24H44O9
CAS_number : 54735-63-6
PubChem : 54078012
UniChem : MLBNINYKQXLHLB-UHFFFAOYSA-N
Target
Structures : No structure
Families : Polyesterase-lipase-cutinase
References (1)
| Title : Computational design of carbohydrate binding modules-fused PETase like enzyme for enhanced polycaprolactone (PCL) degradation: structural insights, molecular dynamics, and QM\/MM simulations - Ahmed_2026_J.Biomol.Struct.Dyn__1 |
| Author(s) : Ahmed N , Abdjan MI , Aminah NS , Helianti I |
| Ref : J Biomol Struct Dyn , :1 , 2026 |
| Abstract : |
| PubMedSearch : Ahmed_2026_J.Biomol.Struct.Dyn__1 |
| PubMedID: 41603859 |
| Gene_locus related to this paper: 9bact-PETaseAN26 , idesa-peth |