BioLiP

PDB

BioLiP

PDB CCD ID:

BA9

Number of entries in BioLiP:

Chemical formula:

C3 H8 O2

InChI:

InChI=1S/C3H8O2/c1-3(2,4)5/h4-5H,1-2H3

InChIKey:

CIBMHJPPKCXONB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC(C)(O)C
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(C)(O)O

Name:

propane-2,2-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).