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BioLiP

PDB CCD ID: PE5
Number of entries in BioLiP: 0
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:
SoftwareSMILES
ACDLabs 10.04O(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, 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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