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- ChemComp-RRE: fac-tricarbonyl-triaqua rhenium(I) -

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Basic information

EntryDatabase: PDB chemical components / ID: RRE
NameName: fac-tricarbonyl-triaqua rhenium(I)

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Chemical information

Composition
Formula: C3O6Re / Number of atoms: 16 / Formula weight: 318.236 / Formal charge: 1
Others

6ro3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RRE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6RO3
History
Create componentMay 10, 2019
Other modificationMay 10, 2019
Other modificationMay 17, 2019
Initial releaseJun 19, 2019
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 3.385O.O.O.[Re+].C=O.C=O.C=O
OpenEye OEToolkits 2.0.7[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]

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SMILES CANONICAL

CACTVS 3.385O.O.O.[Re+].C=O.C=O.C=O
OpenEye OEToolkits 2.0.7[C](=O)[Re+]([C]=O)([C]=O)([O])([O])[O]

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InChI

InChI 1.03InChI=1S/3CHO.3H2O.Re/c3*1-2;;;;/h3*1H;3*1H2;/q;;;;;;+4/p-3

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InChIKey

InChI 1.03LTJPXUNQIJYHLE-UHFFFAOYSA-K

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PDB entries

Showing all 2 items

PDB-6ro3:
2Yr-X: Lysozyme with Re Cluster 2 year on shelf

PDB-6ro5:
1Yr-Y: Lysozyme with Re Cluster 1 year on shelf

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