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Substrate Report for: Acetone

General
Type Ketone
Chemical_Nomenclature propan-2-one
Canonical SMILES CC(=O)C
InChI InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey CSCPPACGZOOCGX-UHFFFAOYSA-N
Other name(s) 2-propanone ; Propanone ; Dimethyl ketone ; Methyl ketone ; Dimethylformaldehyde
________________________________________________________________________________________________
MW|58.07
Formula|C3H6O
CAS_number|67-64-1
PubChem|180
UniChem|CSCPPACGZOOCGX-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Acetone ligand of proteins in family: Hydroxynitrile_lyase
Stucture | 2 structures: 1DWO, 3YAS
Protein | hevbr-hnl, manes-hnl

References:
Search PubMed for references concerning: Acetone
    Title: Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
    Schmidt A, Gruber K, Kratky C, Lamzin VS
    Ref: Journal of Biological Chemistry, 283:21827, 2008 : PubMed

            

    Title: Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis
    Lauble H, Forster S, Miehlich B, Wajant H, Effenberger F
    Ref: Acta Crystallographica D Biol Crystallogr, 57:194, 2001 : PubMed

            

    Title: Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis
    Zuegg J, Gruber K, Gugganig M, Wagner UG, Kratky C
    Ref: Protein Science, 8:1990, 1999 : PubMed