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BioLiP

PDB CCD ID: PE6
Number of entries in BioLiP: 1
Chemical formula: C12 H27 O10 P
InChI: InChI=1S/C12H27O10P/c13-1-2-17-3-4-18-5-6-19-7-8-20-9-10-21-11-12-22-23(14,15)16/h13H,1-12H2,(H2,14,15,16)
InChIKey: PTMCGHPIYOSATH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCCOCCOCCOCCOCCOCCO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOP(=O)(O)O)O
Name:PHOSPHORYL-HEXAETHYLENE GLYCOL
ZINC: ZINC000005828801
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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