BioLiP

PDB

BioLiP

PDB CCD ID:

MLI

Number of entries in BioLiP:

Chemical formula:

C3 H2 O4

InChI:

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2

InChIKey:

OFOBLEOULBTSOW-UHFFFAOYSA-L

SMILES:

Software	SMILES
ACDLabs 10.04 CACTVS 3.341	[O-]C(=O)CC([O-])=O
OpenEye OEToolkits 1.5.0	C(C(=O)[O-])C(=O)[O-]

Name:

MALONATE ION

DrugBank:

DB02201

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).