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BioLiP

PDB CCD ID: 2PE
Number of entries in BioLiP: 0
Chemical formula: C18 H38 O10
InChI: InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2
InChIKey: YZUUTMGDONTGTN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO
Name:NONAETHYLENE GLYCOL
ZINC: ZINC000003874716
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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