1,2-Octanediol

General

Type :

Chemical_Nomenclature : (2R)-octane-1,2-diol

Canonical SMILES : CCCCCCC(CO)O

InChI : InChI=1S\/C8H18O2\/c1-2-3-4-5-6-8(10)7-9\/h8-10H,2-7H2,1H3\/t8-\/m1\/s1

InChIKey : AEIJTFQOBWATKX-MRVPVSSYSA-N || AEIJTFQOBWATKX-QMMMGPOBSA-N || AEIJTFQOBWATKX-UHFFFAOYSA-N

Other name(s) : (2R)-octane-1,2-diol  ||  (R)-(+)-1,2-Octanediol  ||  (R)-1,2-octanediol  ||  7F2  ||  AC1ODVSI  ||  (2S)-octane-1,2-diol  ||  (S)-1,2-OCTANEDIOL  ||  (S)-(-)-1,2-Octanediol  ||  87720-91-0  ||  J-640384  ||  AC1OE5RZ  ||  1,2-OCTANEDIOL  ||  1117-86-8  ||  Octane-1,2-diol  ||  1,2-Dihydroxyoctane  ||  1,2-Octylene glycol  ||  Capyryl Glycol


MW : 146.23

Formula : C8H18O2

CAS_number : 87720-90-9

PubChem : 6994435,    6999933,    14231

UniChem : AEIJTFQOBWATKX-MRVPVSSYSA-N,    AEIJTFQOBWATKX-QMMMGPOBSA-N,    AEIJTFQOBWATKX-UHFFFAOYSA-N

Target

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

Structure :
5TNK 5TNM 5TNN

Protein :
pseae-PA2934

References (2)

Title : Potential of Y. lipolytica epoxide hydrolase for efficient production of enantiopure (R)-1,2-octanediol - Godase_2023_AMB.Express_13_77
Author(s) : Godase VP , Kumar VR , Kumar AR
Ref : AMB Express , 13 :77 , 2023
Abstract :
PubMedSearch : Godase_2023_AMB.Express_13_77
PubMedID: 37495892

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