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Substrate Report for: Ethyl-3-oxohexanoate

General
Type Alkyl ester
Chemical_Nomenclature ethyl 3-oxohexanoate
Canonical SMILES CCCC(=O)CC(=O)OCC
InChI InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N
Other name(s) Ethyl 3-oxohexanoate ; Ethyl butyrylacetate ; Ethyl butyroacetate ; Hexanoic acid, 3-oxo-, ethyl ester ; Ethyl beta-ketohexanoate
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MW|158.19
Formula|C8H14O3
CAS_number|3249-68-1
PubChem|238498
UniChem|KQWWVLVLVYYYDT-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

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References:
Search PubMed for references concerning: Ethyl-3-oxohexanoate
    Title: Determinants and prediction of esterase substrate promiscuity patterns
    Martinez-Martinez M, Coscolin C, Santiago G, Chow J, Stogios PJ, Bargiela R, Gertler C, Navarro-Fernandez J, Bollinger A and Ferrer M <32 more author(s)>
    Ref: ACS Chemical Biology, 13:225, 2018 : PubMed