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BioLiP

PDB CCD ID: RWB
Number of entries in BioLiP: 5
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:
SoftwareSMILES
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, Peter L 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).

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