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BioLiP

PDB CCD ID: O4B
Number of entries in BioLiP: 119
Chemical formula: C12 H24 O6
InChI: InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKey: XEZNGIUYQVAUSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1COCCOCCOCCOCCOCCO1
ACDLabs 12.01O1CCOCCOCCOCCOCCOCC1
Name:1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
ChEMBL: CHEMBL155204
ZINC: ZINC000003861356
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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