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Substrate Report for: OTCE

General
Type Alkyl ester
Chemical_Nomenclature ethyl oxetane-2-carboxylate
Canonical SMILES CCOC(=O)C1CCO1
InChI InChI=1S/C6H10O3/c1-2-8-6(7)5-3-4-9-5/h5H,2-4H2,1H3
InChIKey KWGPSDZDBAGXEY-UHFFFAOYSA-N KWGPSDZDBAGXEY-RXMQYKEDSA-N KWGPSDZDBAGXEY-YFKPBYRVSA-N
Other name(s) oxetane-2-carboxylic acid ethyl ester ; Ethyl 2-oxetanecarboxylate ; SCHEMBL4914627 ; SCHEMBL19565577 ; ZINC104842580 ; SCHEMBL19565576 ; ZINC104842576
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MW|130.14
Formula|C6H10O3
CAS_number|28418-00-0
PubChem|53346601, 98617662, 98617660
UniChem|KWGPSDZDBAGXEY-UHFFFAOYSA-N, KWGPSDZDBAGXEY-RXMQYKEDSA-N, KWGPSDZDBAGXEY-YFKPBYRVSA-N
IUPHAR|
Wikipedia|

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

References:
Search PubMed for references concerning: OTCE
    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