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BioLiP

PDB CCD ID: IV9
Number of entries in BioLiP: 12
Chemical formula: O26 W8
InChI: InChI=1S/11H2O.15O.8W/h11*1H2;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;4*+2/p-11
InChIKey: NWIRRVJZFFMRNI-UHFFFAOYSA-C
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[O][W]123(O[W]45(O16[W]7(O2)(O[W]891(O7[W]626(O3)O4[W]34(O282[W](O3)(O9)(O[W]2(O4)(O1)(O6)[O])([O])[O])(O5)[O])[O])([O])[O])([O])[O])[O]
CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O1[W]23O[W]45O[W]16O[W]78O[W]9%10O[W]%11%12O[W](O2)(O4)(O%11)[O]56[W](O3)(O7)(O9)[O]8%10%12
Name:1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane
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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