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BioLiP

PDB CCD ID: 1PE
Number of entries in BioLiP: 2
Chemical formula: C10 H22 O6
InChI: InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChIKey: JLFNLZLINWHATN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCO)O
CACTVS 3.341OCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCO)CCOCCOCCOCCO
Name:PENTAETHYLENE GLYCOL;
PEG400
ChEMBL: CHEMBL1229766
ZINC: ZINC000004283769
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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