SEQ2FUN

BioLiP

PDB CCD ID: P6G
Number of entries in BioLiP: 1
Chemical formula: C12 H26 O7
InChI: InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
InChIKey: IIRDTKBZINWQAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O(CCO)CCOCCOCCOCCOCCO
CACTVS 3.370OCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.7.0C(COCCOCCOCCOCCOCCO)O
Name:HEXAETHYLENE GLYCOL;
POLYETHYLENE GLYCOL PEG400
ChEMBL: CHEMBL1235082
ZINC: ZINC000004521548
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).