BioLiP

PDB

BioLiP

PDB CCD ID:

A1H65

Number of entries in BioLiP:

Chemical formula:

C18 H28 O2

InChI:

InChI=1S/C18H28O2/c1-4-5-6-7-8-9-10-11-12-16-13-17(19)14(2)15(3)18(16)20/h13H,4-12H2,1-3H3

InChIKey:

APNQQQRDLMWNLM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCCC1=CC(=O)C(=C(C)C1=O)C
OpenEye OEToolkits 2.0.7	CCCCCCCCCCC1=CC(=O)C(=C(C1=O)C)C

Name:

Decylplastoquinone;
5-decyl-2,3-dimethyl-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).