BioLiP

PDB

BioLiP

PDB CCD ID:

PVO

Number of entries in BioLiP:

Chemical formula:

C3 H6 O4

InChI:

InChI=1S/C3H6O4/c1-3(6,7)2(4)5/h6-7H,1H3,(H,4,5)

InChIKey:

HPQUMJNDQVOTAZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(O)(O)C(O)=O
OpenEye OEToolkits 2.0.5	CC(C(=O)O)(O)O

Name:

2,2-bis(oxidanyl)propanoic acid

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).