BioLiP

PDB

BioLiP

PDB CCD ID:

UQ2

Number of entries in BioLiP:

Chemical formula:

C19 H26 O4

InChI:

InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+

InChIKey:

SQQWBSBBCSFQGC-JLHYYAGUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C
ACDLabs 10.04	O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)CC\C=C(/C)C
CACTVS 3.341	COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C
CACTVS 3.341	COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0	CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C

Name:

UBIQUINONE-2

ChEMBL:

CHEMBL1236595

DrugBank:

DB08690

ZINC:

ZINC000001532641

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).