BioLiP

PDB

BioLiP

PDB CCD ID:

RWB

Number of entries in BioLiP:

Chemical formula:

C25 H52 O13

InChI:

InChI=1S/C25H52O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h26H,2-25H2,1H3

InChIKey:

PLQZJIIDLZRWBG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

Name:

dodecaethylene glycol monomethyl ether;
PEG-MME fragment n=12;
polyethylene glycol monomethyl ether fragment n=12;
PEG 550 MME

ZINC:

ZINC000072099668

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).