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Substrate Report for: Ethylacetate


General
Type: Acetate, Alkyl ester
Chemical_Nomenclature: ethyl acetate
Canonical SMILES: CCOC(=O)C
InChI: InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey: XEKOWRVHYACXOJ-UHFFFAOYSA-N
Other name(s): Ethyl acetic ester ; Ethyl acetate ; Ethyl-acetate ; acetoxyethane ; Acetic ether ; vinegar naphtha ; acetidin ; Acetic ester
MW: 88.11
Formula: C4H8O2
CAS_number: 141-78-6
PubChem: 8857
IUPHAR:
Wikipedia:

Target families
Ethylacetate ligand of proteins in family: ACHE, Homoserine_transacetylase_like_est, Carb_B_Chordata

Stucture of targets
1 structure:
1YAH: Crystal Structure of Human Liver Carboxylesterase complexed to Etyl Acetate; A Fatty Acid Ethyl Ester Analogue

Protein target

References
Search PubMed for references concerning: Ethylacetate
    Title: Determinants and prediction of esterase substrate promiscuity patterns
    Martinez-Martinez M, Coscolin C, Santiago G, Chow J, Stogios PJ, Bargiela R, Gertler C, Navarro-Fernandez J, Bollinger A and Ferrer M <32 more author(s)>
    Ref: ACS Chemical Biology, 13:225, 2018 : PubMed

            

    Title: Structural insights into drug processing by human carboxylesterase 1: tamoxifen, mevastatin, and inhibition by benzil
    Fleming CD, Bencharit S, Edwards CC, Hyatt JL, Tsurkan L, Bai F, Fraga C, Morton CL, Howard-Williams EL and Redinbo MR <1 more author(s)>
    Ref: Journal of Molecular Biology, 352:165, 2005 : PubMed

            

    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 220000 & 29000 uM 22200/min 0.18MNaCl pH 7.8 T25C Hasan_1980_J.Biol.Chem_255_3898

WT Kinetics
Kinetic parametersKmKcatConditionsPapers
eleel-ACHE220000 & 29000 uM22200/min 0.18MNaCl pH 7.8 T25C Hasan_1980_J.Biol.Chem_255_3898