BioLiP

PDB

BioLiP

PDB CCD ID:

UQ1

Number of entries in BioLiP:

105

Chemical formula:

C14 H18 O4

InChI:

InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3

InChIKey:

SOECUQMRSRVZQQ-UHFFFAOYSA-N

SMILES:

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

Name:

UBIQUINONE-1

ChEMBL:

CHEMBL1236594

DrugBank:

DB08689

ZINC:

ZINC000001559692

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).