BioLiP

PDB

BioLiP

PDB CCD ID:

DHD

Number of entries in BioLiP:

Chemical formula:

C5 H4 O6

InChI:

InChI=1S/C5H4O6/c6-2(4(8)9)1-3(7)5(10)11/h1H2,(H,8,9)(H,10,11)

InChIKey:

TVKBBTQJNQDZRU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C(=O)C(=O)O)C(=O)C(=O)O
ACDLabs 10.04	O=C(C(=O)O)CC(=O)C(=O)O
CACTVS 3.341	OC(=O)C(=O)CC(=O)C(O)=O

Name:

2,4-DIOXO-PENTANEDIOIC 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).