BioLiP

PDB

BioLiP

PDB CCD ID:

OKG

Number of entries in BioLiP:

Chemical formula:

C4 H5 O5

InChI:

InChI=1S/C4H6O5/c5-3(6)1-2-4(7)9-8/h8H,1-2H2,(H,5,6)/p-1

InChIKey:

WBOQHFMXKCEWSQ-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CC(=O)O[O-])C(=O)O
ACDLabs 12.01 CACTVS 3.385	OC(=O)CCC(=O)O[O-]

Name:

4-peroxy-4-oxobutanoic 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).