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BioLiP

PDB CCD ID: J7T
Number of entries in BioLiP: 2
Chemical formula: Mo9 O31
InChI: InChI=1S/9Mo.18H2O.13O/h;;;;;;;;;18*1H2;;;;;;;;;;;;;/q2*+1;5*+2;2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-18
InChIKey: OPVBNKHERKYGEI-UHFFFAOYSA-A
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O]
CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]1O[Mo]2O[Mo]3O[Mo]4(O1)O[Mo]56O[Mo](O[Mo]7O[Mo](O7)(O5)O6)[O]234
Name:molybdate cluster
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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