BioLiP

PDB

BioLiP

PDB CCD ID:

PGQ

Number of entries in BioLiP:

Chemical formula:

C3 H8 O2

InChI:

InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1

InChIKey:

DNIAPMSPPWPWGF-VKHMYHEABO

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(CO)O
CACTVS 3.341	C[C@H](O)CO
CACTVS 3.341	C[CH](O)CO
OpenEye OEToolkits 1.5.0	C[C@@H](CO)O
ACDLabs 10.04	OCC(O)C

Name:

S-1,2-PROPANEDIOL

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).