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- ChemComp-9Q8: tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium -

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Basic information

EntryDatabase: PDB chemical components / ID: 9Q8
NameName: tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium

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Chemical information

Composition
Formula: C3H3O6Ru / Number of atoms: 13 / Formula weight: 236.122 / Formal charge: 3
Others

5ob6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9Q8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5OB6
History
Create componentJun 26, 2017
Other modificationJun 26, 2017
Initial releaseJul 26, 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 3.385O[Ru](O)(O)(C#[O+])(C#[O+])C#[O+]
OpenEye OEToolkits 2.0.6C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O

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SMILES CANONICAL

CACTVS 3.385O[Ru](O)(O)(C#[O+])(C#[O+])C#[O+]
OpenEye OEToolkits 2.0.6C(#[O+])[Ru](C#[O+])(C#[O+])(O)(O)O

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InChI

InChI 1.03InChI=1S/3CO.3H2O.Ru/c3*1-2;;;;/h;;;3*1H2;/q3*+1;;;;+3/p-3

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InChIKey

InChI 1.03CSTVJYAZRLCYQF-UHFFFAOYSA-K

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium

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PDB entries

Showing all 6 items

PDB-5ob6:
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole

PDB-5ob7:
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole (crystal 2)

PDB-5ob9:
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using ethylene glycol

PDB-5obc:
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole

PDB-5obd:
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole

PDB-5obe:
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MBI), MBI=methyl-benzimidazole

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