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Substrate Report for: THFCE

General
Type Alkyl ester
Chemical_Nomenclature ethyl oxolane-2-carboxylate
Canonical SMILES CCOC(=O)C1CCCO1
InChI InChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3
InChIKey GQQLWKZRORYGHY-UHFFFAOYSA-N GQQLWKZRORYGHY-ZCFIWIBFSA-N GQQLWKZRORYGHY-LURJTMIESA-N
Other name(s) Ethyl tetrahydrofuran-2-carboxylate ; Ethyl Oxolane-2-carboxylate ; Ethyltetrahydro-2-furoate ; SCHEMBL1813924
________________________________________________________________________________________________
MW|144.17
Formula|C7H12O3
CAS_number|16874-34-3
PubChem|10103286, 29933537, 11298032
UniChem|GQQLWKZRORYGHY-UHFFFAOYSA-N, GQQLWKZRORYGHY-ZCFIWIBFSA-N, GQQLWKZRORYGHY-LURJTMIESA-N
IUPHAR|
Wikipedia|

Target
Families | THFCE ligand of proteins in family: Haloperoxidase
Protein | rhoop-RoCE

References:
Search PubMed for references concerning: THFCE
    Title: Structural and mechanistic insights into enantioselectivity toward near-symmetric esters of a novel carboxylesterase RoCE
    Dou Z, Jia P, Chen X, Wu Z, Xu G, Ni Y
    Ref: Catal Sci Technol, 12:7448, 2022 : PubMed