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Substrate Report for: 3-methyl-1butylacetate

Isoamyl acetate is the acetate ester of isoamylol. Isopentyl acetate is found in apple. Isopentyl acetate is present in many fruit aromas, especially banana. Isopentyl acetate is used in banana flavouring. Isoamyl acetate has a strong odor (similar to Juicy Fruit or a pear drop) which is also described as similar to both banana and pear. Banana oil is a term that is applied either to pure isoamyl acetate or to flavorings that are mixtures of isoamyl acetate, amyl acetate, nitrocellulose and other flavors. Pear oil commonly refers to a solution of isoamyl acetate in ethanol that is used as an artificial flavor. Isoamyl acetate, also known as isopentyl acetate, is an organic compound that is the ester formed from isoamyl alcohol and acetic acid. It is a clear colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents.


General
Type Acetate
Chemical_Nomenclature 3-methylbutyl acetate
Canonical SMILES CC(C)CCOC(=O)C
InChI InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey MLFHJEHSLIIPHL-UHFFFAOYSA-N
Other name(s) ISOAMYL ACETATE ; 3-Methylbutyl acetate ; Isopentyl acetate ; Pear oil ; Iso-amyl acetate
________________________________________________________________________________________________
MW|130.18
Formula|C7H14O2
CAS_number|123-92-2
PubChem|31276
UniChem|MLFHJEHSLIIPHL-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 3-methyl-1butylacetate ligand of proteins in family: ACHE

References:
Search PubMed for references concerning: 3-methyl-1butylacetate
    Title: Hydrolysis by acetylcholinesterase. Apparent molal volumes and trimethyl and methyl subsites
    Hasan FB, Cohen SG, Cohen JB
    Ref: Journal of Biological Chemistry, 255:3898, 1980 : PubMed

            


eleel-ACHE
MutationKmKcatConditionPaper
WT 2600 & 700 uM 72000/min 0.18MNaCl pH 7.8 T25C Hasan_1980_J.Biol.Chem_255_3898

WT Kinetics
Kinetic parametersKmKcatConditionsPapers
eleel-ACHE2600 & 700 uM72000/min 0.18MNaCl pH 7.8 T25C Hasan_1980_J.Biol.Chem_255_3898