BioLiP

PDB

BioLiP

PDB CCD ID:

PNL

Number of entries in BioLiP:

Chemical formula:

C3 H6 O

InChI:

InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3

InChIKey:

NBBJYMSMWIIQGU-UHFFFAOYAZ

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCC=O
ACDLabs 10.04	O=CCC

Name:

PROPANAL

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).