BioLiP

PDB

BioLiP

PDB CCD ID:

DKO

Number of entries in BioLiP:

Chemical formula:

C8 H18 O2

InChI:

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

InChIKey:

QYPUTBKHHRIDGS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCCCCCCC(O)O

Name:

octane-1,1-diol

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).