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- ChemComp-NFV: NI-FE OXIDIZED ACTIVE CENTER -

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Basic information

EntryDatabase: PDB chemical components / ID: NFV
NameName: ni-fe oxidized active center

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Chemical information

Composition
Formula: C3FeN2NiO2 / Number of atoms: 9 / Formula weight: 210.583 / Formal charge: 0
Others

3myr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NFV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3MYR
History
Create componentJul 14, 2010
Modify descriptorJun 4, 2011
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 3.370[Ni]O[Fe](|[C-]#[O+])(C#N)C#N
OpenEye OEToolkits 1.7.0C(#N)[Fe](C#N)(C#O)O[Ni]

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SMILES CANONICAL

CACTVS 3.370[Ni]O[Fe](|[C-]#[O+])(C#N)C#N
OpenEye OEToolkits 1.7.0C(#N)[Fe](C#N)(C#O)O[Ni]

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InChI

InChI 1.03InChI=1S/2CN.CO.Fe.Ni.O/c3*1-2;;;

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InChIKey

InChI 1.03MPQMGFDSXFFIQL-UHFFFAOYSA-N

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