BioLiP

PDB

BioLiP

PDB CCD ID:

Y8R

Number of entries in BioLiP:

Chemical formula:

C8 H10 O3

InChI:

InChI=1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h10H,2-4H2,1H3

InChIKey:

YKOOMGHHVDVJAY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)C1=C(O)CCCC1=O
OpenEye OEToolkits 2.0.7	CC(=O)C1=C(CCCC1=O)O

Name:

2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one

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).