BioLiP

PDB

BioLiP

PDB CCD ID:

VGX

Number of entries in BioLiP:

Chemical formula:

C4 H6 O4

InChI:

InChI=1S/C4H6O4/c5-2-1-3(6)4(7)8/h5H,1-2H2,(H,7,8)

InChIKey:

PUWWONYMIXRVQF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(CC(=O)C(O)=O)O
OpenEye OEToolkits 2.0.5	C(CO)C(=O)C(=O)O
CACTVS 3.385	OCCC(=O)C(O)=O

Name:

4-hydroxy-2-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).