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- ChemComp-OEX: CA-MN4-O5 CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: OEX
NameName: ca-mn4-O5 cluster

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Chemical information

Composition
Formula: CaMn4O5 / Number of atoms: 10 / Formula weight: 339.827 / Formal charge: 0
Others

3arc
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OEX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ARC / Ambiguous flag: Yes
History
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.370O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn]456
OpenEye OEToolkits 1.7.0O1[Mn]O23[Mn]14O5[Ca]2O6[Mn]5O4[Mn]36

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SMILES CANONICAL

CACTVS 3.370O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn@]456
OpenEye OEToolkits 1.7.0O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36

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InChI

InChI 1.02InChI=1S/Ca.4Mn.5O

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InChIKey

InChI 1.02SEXWDHMBWJEXOJ-UHFFFAOYSA-N

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PDB entries

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