BioLiP

PDB

BioLiP

PDB CCD ID:

YKK

Number of entries in BioLiP:

Chemical formula:

C7 H6 O3

InChI:

InChI=1S/C7H6O3/c1-4-2-6(9)7(10)3-5(4)8/h2-3,10H,1H3

InChIKey:

BMBZVGUSOUAIMK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CC(=O)C(=CC1=O)O

Name:

2-methyl-5-oxidanyl-cyclohexa-2,5-diene-1,4-dione

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).