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- ChemComp-M27: bis(mu2-oxo)-octaoxo-dimolybdenum (VI) -

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Basic information

EntryDatabase: PDB chemical components / ID: M27
NameName: bis(mu2-oxo)-octaoxo-dimolybdenum (vi) / Synonyms: dimolybdate [Mo(VI)2O10]8-

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Chemical information

Composition
Formula: Mo2O10 / Number of atoms: 12 / Formula weight: 351.874 / Formal charge: -8
Others

4brf

Type: non-polymer / PDB classification: HETAIN / Three letter code: M27 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4BRF
History
Create componentJun 4, 2013
Modify model coordinates codeJun 21, 2013
Modify value orderJun 21, 2013
Other modificationMay 14, 2014
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / 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 3.385[O-][Mo]1([O-])([O-])([O-])O[Mo]([O-])([O-])([O-])([O-])O1
OpenEye OEToolkits 1.7.6[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]

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SMILES CANONICAL

CACTVS 3.385[O-][Mo]1([O-])([O-])([O-])O[Mo]([O-])([O-])([O-])([O-])O1
OpenEye OEToolkits 1.7.6[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-]

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InChI

InChI 1.03InChI=1S/2Mo.10O/q;;;;8*-1

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InChIKey

InChI 1.03OMHJAEGSJTZMPB-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-4brf:
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with a distorted orthomolybdate ion and AMP

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

PDB-6h8h:
Molybdenum storage protein - in a recombinant and in vivo-like form

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