BioLiP

PDB

BioLiP

PDB CCD ID:

PE5

Number of entries in BioLiP:

Chemical formula:

C18 H38 O9

InChI:

InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3

InChIKey:

CUDPPTPIUWYGFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O(CCOCCOCC)CCOCCOCCOCCOCCOCCO
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCOCCOCCOCCOCCOCCOCCOCCOCCO

Name:

3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL;
2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL;
POLYETHYLENE GLYCOL PEG400

DrugBank:

DB03556

ZINC:

ZINC000012503749

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).