BioLiP

PDB

BioLiP

PDB CCD ID:

OTE

Number of entries in BioLiP:

Chemical formula:

C16 H34 O5

InChI:

InChI=1/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3

InChIKey:

FEOZZFHAVXYAMB-UHFFFAOYAF

SMILES:

Software	SMILES
ACDLabs 10.04	O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCOCCOCCOCCOCCO

Name:

2-{2-[2-(2-OCTYLOXY-ETHOXY)-ETHOXYL]-ETHOXY}ETHANOL

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).