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- ChemComp-OEY: CA-MN4-O6 CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: OEY
NameName: ca-mn4-O6 cluster

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Chemical information

Composition
Formula: CaMn4O6 / Number of atoms: 11 / Formula weight: 355.827 / Formal charge: 0
Others

5ws6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OEY / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5WS6
History
Create componentJan 4, 2017
Initial releaseMar 15, 2017
Modify linking typeMay 30, 2017
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 3.385O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3
OpenEye OEToolkits 2.0.6O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3

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SMILES CANONICAL

CACTVS 3.385O1[Mn]O[O]23[Ca]O[Mn@]2(O[Mn]1)O[Mn]3
OpenEye OEToolkits 2.0.6O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3

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InChI

InChI 1.03InChI=1S/Ca.4Mn.O2.4O/c;;;;;1-2;;;;/q;;;;+1;-1;;;;

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InChIKey

InChI 1.03VXLJVOKMVCJEPF-UHFFFAOYSA-N

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PDB entries

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