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BioLiP

PDB CCD ID: 33O
Number of entries in BioLiP: 5
Chemical formula: C26 H54 O14
InChI: InChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2
InChIKey: AKWFJQNBHYVIPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 1.9.2C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
CACTVS 3.385OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Name:3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol;
Tridecaethyleneglycol
ZINC: ZINC000100008458
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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