BioLiP

PDB

BioLiP

PDB CCD ID:

X3T

Number of entries in BioLiP:

Chemical formula:

C6 H8 O2

InChI:

InChI=1S/C6H8O2/c7-6(8)4-2-1-3-5-6/h2-5,7-8H,1H2

InChIKey:

PCGBVGIPMKGMRM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C=CC(C=C1)(O)O
CACTVS 3.385	OC1(O)C=CCC=C1

Name:

cyclohexa-2,5-diene-1,1-diol

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).