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BioLiP

PDB CCD ID: A1H8D
Number of entries in BioLiP: 3
Chemical formula: O33 V15
InChI: InChI=1S/33O.15V/q21*-2;12*-1;15*+4
InChIKey: DLKKHOPCDYTIQY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[O-]=[V+4]123[O-2][V+4]45[O-2]6[V+4]78[O-2]4[V+4]94(=[O-])[O-2]7[V+4]7%10(=[O-])[O-2]8[V+4]8%11(=[O-])[O-2]7[V+4]7%12(=[O-])[O-2]8[V+4]8%13(=[O-])[O-2]%11[V+4]66(=[O-])[O-2]5[V+4]5(=[O-])([O-2]68)[O-2]1[V+4]16(=[O-])[O-2]5[V+4]5([O-2]%13)[O-2]1[V+4]1(=[O-])([O-2]57)[O-2]%12[V+4]5(=[O-])([O-2]%10)[O-2]9[V+4](=[O-])([O-2]42)([O-2]36)[O-2]51
CACTVS 3.385[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O-].[O--]1[V+4][O--][V+4]1[O--][V+4]2[O--][V+4]3[O--][V+4][O--][V+4]4[O--][V+4]([O--]4)[O--][V+4]([O--]3)[O--][V+4]5[O--][V+4][O--][V+4]67[O--][V+4]([O--][V+4][O--][V+4]([O--][V+4]([O--]5)[O--]6)[O--]7)[O--]2
Name:Polyoxidovanadate complex
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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