4-oxo-N,N,N-trimethylpentanaminium

General

Type : Trimethylammonium, Analogue of substrate

Chemical_Nomenclature : N,N,N-trimethyl-4-oxopentan-1-aminium

Canonical SMILES : CC(=O)CCC[N+](C)(C)C

InChI : InChI=1S\/C8H18NO\/c1-8(10)6-5-7-9(2,3)4\/h5-7H2,1-4H3\/q+1

InChIKey : UKCYTFTWLWVZSO-UHFFFAOYSA-N

Other name(s) : trimethyl-(4-oxopentyl)azanium  ||  NWA  ||  5-Tmap  ||  KPTMA  ||  4K-TMA  ||  Ketopentyltrimethylammonium  ||  Trimethyl(4-oxopentyl)ammonium  ||  5-Trimethylammonio-2-pentanone  ||  Trimethyl(4-oxopentyl)ammonium chloride  ||  1-Pentanaminium, N,N,N-trimethyl-4-oxo-  ||  4-Oxo-N,N,N-trimethylpentaminium chloride


MW : 144.23

Formula : C8H18NO

CAS_number : 25351-18-2,    25351-37-5

PubChem : 91420

UniChem : UKCYTFTWLWVZSO-UHFFFAOYSA-N

Target

Families : 4-oxo-N,N,N-trimethylpentanaminium ligand of proteins in family
ACHE

Structure :
2C5F 7RB5 7RB6 7RB7 2VJC 2HA0

Protein :
torca-ACHE

References (7)

Title : Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure - Gerlits_2021_Curr.Res.Struct.Biol_3_206
Author(s) : Gerlits O , Blakeley MP , Keen DA , Radic Z , Kovalevsky A
Ref : Current Research in Structural Biology , 3 :206 , 2021
Abstract :
PubMedSearch : Gerlits_2021_Curr.Res.Struct.Biol_3_206
PubMedID: 34541552
Gene_locus related to this paper: human-ACHE

Title : Shoot-and-Trap: use of specific x-ray damage to study structural protein dynamics by temperature-controlled cryo-crystallography - Colletier_2008_Proc.Natl.Acad.Sci.U.S.A_105_11742
Author(s) : Colletier JP , Bourgeois D , Sanson B , Fournier D , Sussman JL , Silman I , Weik M
Ref : Proc Natl Acad Sci U S A , 105 :11742 , 2008
Abstract :
PubMedSearch : Colletier_2008_Proc.Natl.Acad.Sci.U.S.A_105_11742
PubMedID: 18701720
Gene_locus related to this paper: torca-ACHE

Title : Substrate and product trafficking through the active center gorge of acetylcholinesterase analyzed by crystallography and equilibrium binding - Bourne_2006_J.Biol.Chem_281_29256
Author(s) : Bourne Y , Radic Z , Sulzenbacher G , Kim E , Taylor P , Marchot P
Ref : Journal of Biological Chemistry , 281 :29256 , 2006
Abstract :
PubMedSearch : Bourne_2006_J.Biol.Chem_281_29256
PubMedID: 16837465
Gene_locus related to this paper: mouse-ACHE

Title : Structural insights into substrate traffic and inhibition in acetylcholinesterase - Colletier_2006_EMBO.J_25_2746
Author(s) : Colletier JP , Fournier D , Greenblatt HM , Stojan J , Sussman JL , Zaccai G , Silman I , Weik M
Ref : EMBO Journal , 25 :2746 , 2006
Abstract :
PubMedSearch : Colletier_2006_EMBO.J_25_2746
PubMedID: 16763558
Gene_locus related to this paper: torca-ACHE

Title : Involvement of deacylation in activation of substrate hydrolysis by Drosophila acetylcholinesterase - Brochier_2001_J.Biol.Chem_276_18296
Author(s) : Brochier L , Pontie Y , Willson M , Estrada-Mondaca S , Czaplick J , Klaebe A , Fournier D
Ref : Journal of Biological Chemistry , 276 :18296 , 2001
Abstract :
PubMedSearch : Brochier_2001_J.Biol.Chem_276_18296
PubMedID: 11278288

Title : Reactions of 1-bromo-2-[14C]pinacolone with acetylcholinesterase from Torpedo nobiliana. Effects of 5-trimethylammonio-2-pentanone and diisopropyl fluorophosphate - Cohen_1989_Biochim.Biophys.Acta_997_167
Author(s) : Cohen SG , Salih E , Solomon M , Howard S , Chishti SB , Cohen JB
Ref : Biochimica & Biophysica Acta , 997 :167 , 1989
Abstract :
PubMedSearch : Cohen_1989_Biochim.Biophys.Acta_997_167
PubMedID: 2765553

Title : Inactivation of acetylcholinesterase with a bretylium tosylate photoaffinity probe - Branchini_1986_Biochim.Biophys.Acta_884_135
Author(s) : Branchini BR , Lajiness EJ
Ref : Biochimica & Biophysica Acta , 884 :135 , 1986
Abstract :
PubMedSearch : Branchini_1986_Biochim.Biophys.Acta_884_135
PubMedID: 3768408