BioLiP

PDB

BioLiP

PDB CCD ID:

HKV

Number of entries in BioLiP:

Chemical formula:

C5 H6 O4

InChI:

InChI=1S/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)

InChIKey:

YHUFRVYVNKGICT-UHFFFAOYSA-N

SMILES:

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

Name:

4,5-DIOXOPENTANOIC 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).