BioLiP

PDB

BioLiP

PDB CCD ID:

ELX

Number of entries in BioLiP:

Chemical formula:

C20 H34 O

InChI:

InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+

InChIKey:

OJISWRZIEWCUBN-QIRCYJPOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C
OpenEye OEToolkits 2.0.7	CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C
CACTVS 3.385	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
CACTVS 3.385	CC(C)=CCCC(/C)=C/CC\C(C)=C\CC\C(C)=C\CO

Name:

(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

ChEMBL:

CHEMBL478589

ZINC:

ZINC000001531391

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).