SEQ2FUN

BioLiP

PDB CCD ID: MLA
Number of entries in BioLiP: 1
Chemical formula: C3 H4 O4
InChI: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChIKey: OFOBLEOULBTSOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)C(=O)O
CACTVS 3.341OC(=O)CC(O)=O
ACDLabs 10.04O=C(O)CC(=O)O
Name:MALONIC ACID;
DICARBOXYLIC ACID C3;
PROPANEDIOLIC ACID;
METHANEDICARBOXYLIC ACID
ChEMBL: CHEMBL7942
DrugBank: DB02175
ZINC: ZINC000000895212
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).