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1,2-Cyclohexanediol

Cyclohexene-oxide hydrolysis intermediate

General

Type :

Chemical_Nomenclature : cyclohexane-1,2-diol

Canonical SMILES : C1CCC(C(C1)O)O

InChI : InChI=1S\/C6H12O2\/c7-5-3-1-2-4-6(5)8\/h5-8H,1-4H2

InChIKey : PFURGBBHAOXLIO-UHFFFAOYSA-N || PFURGBBHAOXLIO-OLQVQODUSA-N || PFURGBBHAOXLIO-PHDIDXHHSA-N

Other name(s) : Cyclohexane-1,2-diol  ||  2-Hydroxycyclohexanol  ||  Pyrocatechitol  ||  1,2-Dihydroxycyclohexane  ||  Cis-1,2-Cyclohexanediol  ||  Cis-Cyclohexane-1,2-diol  ||  Grandidentol  ||  Cis-1,2-Dihydroxycyclohexane  ||  1,2-Cyclohexanediol, cis-  ||  Trans-Cyclohexane-1,2-diol  ||  Trans-1,2-Cyclohexanediol  ||  (1R,2R)-cyclohexane-1,2-diol  ||  1072-86-2  ||  (1R,2R)-trans-1,2-

MW : 116.16

Formula : C6H12O2

CAS_number : 931-17-9,    1792-81-0,    1460-57-7

PubChem : 13601,    92903,    92886

UniChem : PFURGBBHAOXLIO-UHFFFAOYSA-N,    PFURGBBHAOXLIO-OLQVQODUSA-N,    PFURGBBHAOXLIO-PHDIDXHHSA-N

Target

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

Structure :
5TND 5TNS

Protein :
pseae-PA2934

References (1)

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