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BioLiP

PDB CCD ID: PE8
Number of entries in BioLiP: 0
Chemical formula: C16 H34 O9
InChI: InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2
InChIKey: GLZWNFNQMJAZGY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCOCCO)CCOCCOCCOCCOCCOCCO
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCOCCO)O
Name:3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL
ZINC: ZINC000005178830
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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