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Triethylene-glycol

General

Type : Polymer,Poly-ethylene-glycol

Chemical_Nomenclature : 2-[2-(2-hydroxyethoxy)ethoxy]ethanol

Canonical SMILES : C(COCCOCCO)O

InChI : InChI=1S\/C6H14O4\/c7-1-3-9-5-6-10-4-2-8\/h7-8H,1-6H2

InChIKey : ZIBGPFATKBEMQZ-UHFFFAOYSA-N

Other name(s) : Triglycol,2,2'-(Ethane-1,2-diylbis(oxy))diethanol,Trigen,Triethylenglykol,PGE,Triethylene glycol

MW : 150.17

Formula : C6H14O4

CAS_number : 112-27-6

PubChem : 8172

UniChem : ZIBGPFATKBEMQZ-UHFFFAOYSA-N

Target

Families : Triethylene-glycol ligand of proteins in family
ACHE Acetyl_esterase

Protein :
torca-ACHE ecoli-Aes

References (2)

Title : The Impact of Crystallization Conditions on Structure-Based Drug Design: A Case Study on the Methylene Blue\/Acetylcholinesterase Complex - Dym_2016_Protein.Sci_25_1096
Author(s) : Dym O , Song W , Felder CE , Roth E , Shnyrov V , Ashani Y , Xu Y , Joosten RP , Weiner L , Sussman JL , Silman I
Ref : Protein Science , 25 :1096 , 2016
Abstract : Dym_2016_Protein.Sci_25_1096
ESTHER : Dym_2016_Protein.Sci_25_1096
PubMedSearch : Dym_2016_Protein.Sci_25_1096
PubMedID: 26990888
Gene_locus related to this paper: torca-ACHE

Title : Structural and mutational analyses of Aes, an inhibitor of MalT in Escherichia coli - Schiefner_2014_Proteins_82_268
Author(s) : Schiefner A , Gerber K , Brosig A , Boos W
Ref : Proteins , 82 :268 , 2014
Abstract : Schiefner_2014_Proteins_82_268
ESTHER : Schiefner_2014_Proteins_82_268
PubMedSearch : Schiefner_2014_Proteins_82_268
PubMedID: 23934774
Gene_locus related to this paper: ecoli-Aes 
Array
(
    [id] => 3438
    [inhibitor] => Triethylene-glycol
    [type] => Array
        (
            [0] => Polymer
            [1] => Poly-ethylene-glycol
        )

    [other_name] => Array
        (
            [0] => Triglycol
            [1] => 2,2'-(Ethane-1,2-diylbis(oxy))diethanol
            [2] => Trigen
            [3] => Triethylenglykol
            [4] => PGE
            [5] => Triethylene glycol
        )

    [chemical_nomenclature] => 2-[2-(2-hydroxyethoxy)ethoxy]ethanol
    [formula] => C6H14O4
    [cas_number] => 112-27-6
    [mw] => 150.17
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Dym_2016_Protein.Sci_25_1096 || Schiefner_2014_Proteins_82_268
    [comment] => 
    [gene_locus] => torca-ACHE || ecoli-Aes
    [kin_inhibitor] => 
    [cid] => 8172
    [family] => ACHE || Acetyl_esterase
    [inchikey] => ZIBGPFATKBEMQZ-UHFFFAOYSA-N
    [canonicalsmiles] => C(COCCOCCO)O
    [inchi] => InChI=1S\/C6H14O4\/c7-1-3-9-5-6-10-4-2-8\/h7-8H,1-6H2
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)