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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

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 : Gerlits_2021_Curr.Res.Struct.Biol_3_206
ESTHER : Gerlits_2021_Curr.Res.Struct.Biol_3_206
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 : Colletier_2008_Proc.Natl.Acad.Sci.U.S.A_105_11742
ESTHER : Colletier_2008_Proc.Natl.Acad.Sci.U.S.A_105_11742
PubMedSearch : Colletier_2008_Proc.Natl.Acad.Sci.U.S.A_105_11742
PubMedID: 18701720
Gene_locus related to this paper: torca-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 : Colletier_2006_EMBO.J_25_2746
ESTHER : Colletier_2006_EMBO.J_25_2746
PubMedSearch : Colletier_2006_EMBO.J_25_2746
PubMedID: 16763558
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 : Bourne_2006_J.Biol.Chem_281_29256
ESTHER : Bourne_2006_J.Biol.Chem_281_29256
PubMedSearch : Bourne_2006_J.Biol.Chem_281_29256
PubMedID: 16837465
Gene_locus related to this paper: mouse-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 : Brochier_2001_J.Biol.Chem_276_18296
ESTHER : Brochier_2001_J.Biol.Chem_276_18296
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 : Cohen_1989_Biochim.Biophys.Acta_997_167
ESTHER : Cohen_1989_Biochim.Biophys.Acta_997_167
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 : Branchini_1986_Biochim.Biophys.Acta_884_135
ESTHER : Branchini_1986_Biochim.Biophys.Acta_884_135
PubMedSearch : Branchini_1986_Biochim.Biophys.Acta_884_135
PubMedID: 3768408 
Array
(
    [id] => 4815
    [inhibitor] => 4-oxo-N,N,N-trimethylpentanaminium
    [type] => Array
        (
            [0] => Trimethylammonium
            [1] => Analogue of substrate
        )

    [other_name] => Array
        (
            [0] => trimethyl-(4-oxopentyl)azanium
            [1] => NWA
            [2] => 5-Tmap
            [3] => KPTMA
            [4] => 4K-TMA
            [5] => Ketopentyltrimethylammonium
            [6] => Trimethyl(4-oxopentyl)ammonium
            [7] => 5-Trimethylammonio-2-pentanone
            [8] => Trimethyl(4-oxopentyl)ammonium chloride
            [9] => 1-Pentanaminium, N,N,N-trimethyl-4-oxo-
            [10] => 4-Oxo-N,N,N-trimethylpentaminium chloride
        )

    [chemical_nomenclature] => N,N,N-trimethyl-4-oxopentan-1-aminium
    [formula] => C8H18NO
    [cas_number] => 25351-18-2 || 25351-37-5
    [mw] => 144.23
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Gerlits_2021_Curr.Res.Struct.Biol_3_206 || Branchini_1986_Biochim.Biophys.Acta_884_135 || Brochier_2001_J.Biol.Chem_276_18296 || Colletier_2006_Embo.J_25_2746 || Cohen_1989_Biochim.Biophys.Acta_997_167 || Colletier_2008_Proc.Natl.Acad.Sci.U.S.A_105_11742 || Bourne_2006_J.Biol.Chem_281_29256
    [comment] => 
    [gene_locus] => torca-ACHE
    [kin_inhibitor] => 
    [cid] => 91420
    [family] => ACHE
    [inchikey] => UKCYTFTWLWVZSO-UHFFFAOYSA-N
    [canonicalsmiles] => 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
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)