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1,2-hexanediol

product of hydrolysis of Epoxyhexane

General

Type :

Chemical_Nomenclature : hexane-1,1-diol

Canonical SMILES : CCCCCC(O)O

InChI : InChI=1S\/C6H14O2\/c1-2-3-4-5-6(7)8\/h6-8H,2-5H2,1H3

InChIKey : ACCCMOQWYVYDOT-UHFFFAOYSA-N

Other name(s) : Hexanediol  ||  Hexandiol  ||  Hexane-1,1-diol  ||  AC1L3UBZ  ||  SCHEMBL26481

MW : 118.17

Formula : C6H14O2

CAS_number : 26762-52-7

PubChem : 147023

UniChem : ACCCMOQWYVYDOT-UHFFFAOYSA-N

Target

Families : 1,2-hexanediol ligand of proteins in family
CFTR-inhibitory-factor_Cif

Structure :
5TNL 4DNO 4EUS

Protein :
pseae-PA2934

References (2)

Title : Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase - Hvorecny_2017_Structure_25_697
Author(s) : Hvorecny KL , Bahl CD , Kitamura S , Lee KSS , Hammock BD , Morisseau C , Madden DR
Ref : Structure , 25 :697 , 2017
Abstract :
PubMedSearch : Hvorecny_2017_Structure_25_697
PubMedID: 28392259
Gene_locus related to this paper: pseae-PA2934

Title : Visualizing the Mechanism of Epoxide Hydrolysis by the Bacterial Virulence Enzyme Cif - Bahl_2016_Biochemistry_55_788
Author(s) : Bahl CD , Hvorecny KL , Morisseau C , Gerber SA , Madden DR
Ref : Biochemistry , 55 :788 , 2016
Abstract :
PubMedSearch : Bahl_2016_Biochemistry_55_788
PubMedID: 26752215
Gene_locus related to this paper: pseae-PA2934