BioLiP

PDB

BioLiP

PDB CCD ID:

6JN

Number of entries in BioLiP:

Chemical formula:

C5 H6 O5

InChI:

InChI=1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)

InChIKey:

OXTNCQMOKLOUAM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(C(=O)O)C(CC(O)=O)=O
CACTVS 3.385	OC(=O)CC(=O)CC(O)=O
OpenEye OEToolkits 2.0.4	C(C(=O)CC(=O)O)C(=O)O

Name:

3-oxopentanedioic acid

ZINC:

ZINC000000388410

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).