SEQ2FUN

BioLiP

PDB CCD ID: MDD
Number of entries in BioLiP: 1
Chemical formula: C3 H4 O2
InChI: InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKey: WSMYVTOQOOLQHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C=O)C=O
ACDLabs 10.04
CACTVS 3.341		O=CCC=O
Name:MALONALDEHYDE
ChEMBL: CHEMBL446036
DrugBank: DB03057
ZINC: ZINC000005178380
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).