SEQ2FUN

BioLiP

PDB CCD ID: CBG
Number of entries in BioLiP: 3
Chemical formula: C3 H6 O
InChI: InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChIKey: NBBJYMSMWIIQGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCC=O
ACDLabs 10.04O=CCC
Name:PROPANAL
ChEMBL: CHEMBL275626
ZINC: ZINC000000895256
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).