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- ChemComp-RU1: bis(oxidaniumylidynemethyl)ruthenium(2+) -

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Basic information

EntryDatabase: PDB chemical components / ID: RU1
NameName: bis(oxidaniumylidynemethyl)ruthenium(2+)

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Chemical information

Composition
Formula: C2O2Ru / Number of atoms: 5 / Formula weight: 157.09 / Formal charge: 4
Others

3wvw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RU1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WVW
History
Create componentJul 2, 2014
Initial releaseDec 31, 2014
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

ACDLabs 12.01[O+]#C[Ru+2]C#[O+]
CACTVS 3.385[O+]#C[Ru++]C#[O+]
OpenEye OEToolkits 1.7.6C(#[O+])[Ru+2]C#[O+]

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SMILES CANONICAL

CACTVS 3.385[O+]#C[Ru++]C#[O+]
OpenEye OEToolkits 1.7.6C(#[O+])[Ru+2]C#[O+]

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InChI

InChI 1.03InChI=1S/2CO.Ru/c2*1-2;/q2*+1;+2

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InChIKey

InChI 1.03HLYOBVRGNSSECA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01dicarbonylruthenium(4+)
OpenEye OEToolkits 1.7.6bis(oxidaniumylidynemethyl)ruthenium(2+)

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PDB entries

Showing all 4 items

PDB-3wvw:
Crystal structure of RuCO/apo-WTFr

PDB-4w94:
Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2

PDB-4w96:
Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 followed by the reaction in deoxy-myoglobin solution

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

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