BioLiP

PDB

BioLiP

PDB CCD ID:

80W

Number of entries in BioLiP:

Chemical formula:

C9 H8 O3

InChI:

InChI=1S/C9H8O3/c1-5-3-8(11)9(12)4-7(10)6(5)2/h3-4,12H,2H2,1H3

InChIKey:

BTZWUNVWCWSING-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CC(=O)C(=CC(=O)C1=C)O

Name:

6-methyl-7-methylidene-3-oxidanyl-cyclohepta-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).