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- ChemComp-MO7: bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybde... -

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Basic information

EntryDatabase: PDB chemical components / ID: MO7
NameName: bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (vi)
Synonyms: HEPTAMOLYBDATE [Mo(VI)7O24]6-

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Chemical information

Composition
Formula: Mo7O24 / Number of atoms: 31 / Formula weight: 1055.566 / Formal charge: -6
Others

1p0z

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MO7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1P0Z / Ambiguous flag: Yes
History
Create componentApr 15, 2003
Other modificationMar 27, 2014
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / PubChem / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.370[O-][Mo]123(=O)|O4[Mo]|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389
OpenEye OEToolkits 1.7.6[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]

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SMILES CANONICAL

CACTVS 3.370[O-][Mo]123(=O)|O4[Mo]|5678O[Mo]9([O-])(=O)(O1)O[Mo]%10([O-])(=O)(O|5[Mo]%11([O-])(=O)(O[Mo]%12([O-])(=O)(O6)O[Mo]4([O-])(=O)(O2)[O]7%11%12)O%10)[O]389
OpenEye OEToolkits 1.7.6[O-][Mo]123(=O)O[Mo]45(=O)(O16[Mo]7(=O)(O2)(O[Mo]89(=O)(O7[Mo]612(O3)O4[Mo]3(=O)(O18[Mo](=O)(O3)(O9)(O2)[O-])(O5)[O-])[O-])[O-])[O-]

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InChI

InChI 1.03InChI=1S/7Mo.24O/q;;;;;;;;;;;;;;;;;;;;;;;;;6*-1

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InChIKey

InChI 1.03CFQDGBTUZUJXQE-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-1p0z:
Sensor Kinase CitA binding domain

PDB-3zx0:
NTPDase1 in complex with Heptamolybdate

PDB-4bvp:
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with heptamolybdate and octamolybdate

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