Substrate Report for: Methyl-hexanoate
Methyl-hexanoate | Type | Hexanoate |
| | Alkyl ester |
| Other_Name (6) |
| Chemical_Nomenclature | methyl hexanoate |
| Formula | C7H14O2 |
| CAS_number | 106-70-7 |
| MW | 130.18 |
| |
| Kinetic_parameter | Methyl-hexanoate_WT_eleel-ACHE |
| Paper | Hasan_1980_J.Biol.Chem_255_3898 |
| | Martinez-Martinez_2018_ACS.Chem.Biol_13_225 |
| Comment | Methyl 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_Substrate | Methyl-hexanoate |
| CID | 7824 |
| Family | ACHE |
| InChIKey | NUKZAGXMHTUAFE-UHFFFAOYSA-N |
| CanonicalSMILES | CCCCCC(=O)OC |
| InChI | InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 |
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