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2HE(MHET)4

General

Type : Polymer || Polyester || Terephthalate || 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) : 2-HE(MHET)4,     SCHEMBL19235060,     2-hydroxyethyl-(monohydroxyethyl terephthalic acid)4,     tetrameric PET

MW : 830.7

Formula : C42H38O18

CAS_number :

PubChem :

UniChem :

Iuphar :

Target

Families : Polyesterase-lipase-cutinase

References (4)

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 : James_2022_RSC.Adv_12_20563
ESTHER : James_2022_RSC.Adv_12_20563
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 : Reply to 'Conformational fitting of a flexible oligomeric substrate does not explain the enzymatic PET degradation' -
Author(s) : Seo H , Cho IJ , Joo S , Son HF , Sagong HY , Choi SY , Lee SY , Kim KJ
Ref : Nat Commun , 10 :5582 , 2019
PubMedID: 31811201

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 : Joo_2018_Nat.Commun_9_382
ESTHER : Joo_2018_Nat.Commun_9_382
PubMedSearch : Joo_2018_Nat.Commun_9_382
PubMedID: 29374183
Gene_locus related to this paper: idesa-peth