BioLiP

PDB

BioLiP

PDB CCD ID:

BGL

Number of entries in BioLiP:

Chemical formula:

C14 H28 O6

InChI:

InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-13-12(17)11(16)10(9-15)20-14(13)18/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1

InChIKey:

BVHPDIWLWHHJPD-RKQHYHRCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
CACTVS 3.341	CCCCCCCCO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
CACTVS 3.341	CCCCCCCCO[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
ACDLabs 10.04	O(CCCCCCCC)C1C(O)C(O)C(OC1O)CO
OpenEye OEToolkits 1.5.0	CCCCCCCCOC1C(C(C(OC1O)CO)O)O

Name:

2-O-octyl-beta-D-glucopyranose;
2-O-octyl-beta-D-glucose;
2-O-octyl-D-glucose;
2-O-octyl-glucose

DrugBank:

DB03152

ZINC:

ZINC000015651153

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).