BioLiP

PDB

BioLiP

PDB CCD ID:

DCQ

Number of entries in BioLiP:

Chemical formula:

C19 H30 O4

InChI:

InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3

InChIKey:

VMEGFMNVSYVVOM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1C(=C(C(=O)C(OC)=C1OC)C)CCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C
CACTVS 3.341	CCCCCCCCCCC1=C(C)C(=O)C(=C(OC)C1=O)OC

Name:

2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione;
decylubiquinone

ChEMBL:

CHEMBL217894

DrugBank:

DB07640

ZINC:

ZINC000002575028

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).