BioLiP

PDB

BioLiP

PDB CCD ID:

DK9

Number of entries in BioLiP:

Chemical formula:

C5 H12 O2

InChI:

InChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3

InChIKey:

UWJJYHHHVWZFEP-UHFFFAOYSA-N

SMILES:

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

Name:

pentane-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).