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Substrate Report for: Methyl-hexanoate

Name Class
Methyl-hexanoateTypeHexanoate
Alkyl ester
Other_Name (6)
Chemical_Nomenclaturemethyl hexanoate
FormulaC7H14O2
CAS_number106-70-7
MW130.18
Kinetic_parameterMethyl-hexanoate_WT_eleel-ACHE
PaperHasan_1980_J.Biol.Chem_255_3898
Martinez-Martinez_2018_ACS.Chem.Biol_13_225
CommentMethyl hexanoate is present in wine grapes, melon, raspberry, blackberry, plum, quince, apple brandy, wines, Bourbon vanilla, coffee, black tea, potato, tomato, cheeses, rye bread, meats and other foodstuffs. Methyl hexanoate is a flavouring agent
Kin_SubstrateMethyl-hexanoate
CID7824
FamilyACHE
InChIKeyNUKZAGXMHTUAFE-UHFFFAOYSA-N
CanonicalSMILESCCCCCC(=O)OC
InChIInChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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