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- ChemComp-NRU: RUTHENIUM (III) HEXAAMINE ION -

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Basic information

EntryDatabase: PDB chemical components / ID: NRU
NameName: ruthenium (iii) hexaamine ion / Synonyms: HEXAAMINORUTHENIUM

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Chemical information

Composition
Formula: H18N6Ru / Number of atoms: 25 / Formula weight: 203.253 / Formal charge: 3
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: NRU / Ideal coordinates details: Corina / Ambiguous flag: Yes
History
Modify synonymsJun 11, 2020
Modify descriptorSep 23, 2023
External linksUniChem / ChemSpider / ChEBI / PubChem / PubChem_TPharma / 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 3.385N.N.N.N.N.N.[Ru+3]
OpenEye OEToolkits 2.0.7[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3]

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SMILES CANONICAL

CACTVS 3.385N.N.N.N.N.N.[Ru+3]
OpenEye OEToolkits 2.0.7[NH3][Ru+3]([NH3])([NH3])([NH3])([NH3])[NH3]

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InChI

InChI 1.06InChI=1S/6H3N.Ru/h6*1H3;/q;;;;;;+3

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InChIKey

InChI 1.06HOOVQFBYNWLMGV-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-2hto:
Ruthenium hexammine ion interactions with Z-DNA

PDB-2htt:
Ruthenium Hexammine ion interactions with Z-DNA

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