BioLiP

PDB

BioLiP

PDB CCD ID:

U5C

Number of entries in BioLiP:

Chemical formula:

C5 H8 O6

InChI:

InChI=1S/C5H8O6/c6-3(7)1-2-5(10,11)4(8)9/h10-11H,1-2H2,(H,6,7)(H,8,9)

InChIKey:

FFGNAYMZNXXDAW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCC(O)(O)C(O)=O
OpenEye OEToolkits 2.0.7	C(CC(C(=O)O)(O)O)C(=O)O

Name:

2,2-bis(oxidanyl)pentanedioic acid;
2,2-dihydroxyglutarate;
2,2-dihydroxypentanedioic 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).