BioLiP

PDB

BioLiP

PDB CCD ID:

PE4

Number of entries in BioLiP:

Chemical formula:

C16 H34 O8

InChI:

InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3

InChIKey:

PJWQOENWHPEPKI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O(CCOCCO)CCOCCOCCOCCOCCOCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCOCCOCCOCCOCCOCCOCCOCCO

Name:

2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL;
POLYETHYLENE GLYCOL PEG4000

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).