BioLiP

PDB

BioLiP

PDB CCD ID:

ODI

Number of entries in BioLiP:

Chemical formula:

C8 H18 O2

InChI:

InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

InChIKey:

OEIJHBUUFURJLI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04 CACTVS 3.341	OCCCCCCCCO
OpenEye OEToolkits 1.5.0	C(CCCCO)CCCO

Name:

OCTANE-1,8-DIOL;
1,8-OCTANEDIOL

ZINC:

ZINC000001574321

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).