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Substrate Report for: THPCE

General
Type Alkyl ester
Chemical_Nomenclature ethyl oxane-2-carboxylate
Canonical SMILES CCOC(=O)C1CCCCO1
InChI InChI=1S/C8H14O3/c1-2-10-8(9)7-5-3-4-6-11-7/h7H,2-6H2,1H3
InChIKey LMMSPVMUSOMTDD-UHFFFAOYSA-N LMMSPVMUSOMTDD-SSDOTTSWSA-N LMMSPVMUSOMTDD-ZETCQYMHSA-N
Other name(s) ethyl tetrahydro-2H-pyran-2-carboxylate ; 2H-Pyran-2-carboxylic acid, tetrahydro-, ethyl ester ; tetrahydro-pyran-2-carboxylic acid ethyl ester ; ZINC50970478 ; ZINC50970476
________________________________________________________________________________________________
MW|158.19
Formula|C8H14O3
CAS_number|110811-34-2
PubChem|11998472, 129367519, 129367518
UniChem|LMMSPVMUSOMTDD-UHFFFAOYSA-N, LMMSPVMUSOMTDD-SSDOTTSWSA-N, LMMSPVMUSOMTDD-ZETCQYMHSA-N
IUPHAR|
Wikipedia|

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

References:
Search PubMed for references concerning: THPCE
    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