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Substrate Report for: 5-Methylfuran-2(3H)-one

Analogue of substrate could not be found in structure but the product lavulinic acid was found


General
Type Lactone, Butenolide, Analogue of substrate
Chemical_Nomenclature 5-methyl-3H-furan-2-one
Canonical SMILES CC1=CCC(=O)O1
InChI InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChIKey QOTQFLOTGBBMEX-UHFFFAOYSA-N
Other name(s) 4-hydroxy-3-pentenoic acid gamma-lactone ; 4-hydroxy-3-pentenoic-acid-gamma-lactone ; Alpha-Angelica lactone ; Alpha-Angelicalactone ; 5-Methyl-2(3H)-furanone ; 5-Methylfuran-2(3H)-one ; 2(3H)-FURANONE, 5-METHYL-
________________________________________________________________________________________________
MW|98.10
Formula|C5H6O2
CAS_number|591-12-8
PubChem|11559
UniChem|QOTQFLOTGBBMEX-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 5-Methylfuran-2(3H)-one ligand of proteins in family: Carboxymethylbutenolide_lactonase
Protein | burxl-q13kt2

References:
Search PubMed for references concerning: 5-Methylfuran-2(3H)-one
    Title: A product analog bound form of 3-oxoadipate-enol-lactonase (PcaD) reveals a multifunctional role for the divergent cap domain
    Bains J, Kaufman L, Farnell B, Boulanger MJ
    Ref: Journal of Molecular Biology, 406:649, 2011 : PubMed