Substrate

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Substrate Report for: 3,3-dimethylbutylacetate

uncharged analog of acetylcholine


General
Type Acetate
Chemical_Nomenclature 3,3-dimethylbutyl acetate
Canonical SMILES CC(=O)OCCC(C)(C)C
InChI InChI=1S/C8H16O2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3
InChIKey AVXZMWDBEBBNOE-UHFFFAOYSA-N
Other name(s) 1-Butanol, 3,3-dimethyl-, acetate ; 3,3-Dimethylbutylacetate ; 3,3-dimethylbutyl acetate ; DIMBA ; UNII-CR09Z7AWNB ; CR09Z7AWNB
________________________________________________________________________________________________
MW|144.21
Formula|C8H1602
CAS_number|
PubChem|193328
UniChem|AVXZMWDBEBBNOE-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 3,3-dimethylbutylacetate ligand of proteins in family: ACHE

References:
Search PubMed for references concerning: 3,3-dimethylbutylacetate
    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 & 300 uM 186000/min 0.18MNaCl pH 7.8 T25C Hasan_1980_J.Biol.Chem_255_3898

WT Kinetics
Kinetic parametersKmKcatConditionsPapers
eleel-ACHE2600 & 300 uM186000/min 0.18MNaCl pH 7.8 T25C Hasan_1980_J.Biol.Chem_255_3898