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- ChemComp-7G4: ruthenocene -

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Basic information

EntryDatabase: PDB chemical components / ID: 7G4
NameName: ruthenocene / Synonyms: bis[(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium

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Chemical information

Composition
Formula: C10H10Ru / Number of atoms: 21 / Formula weight: 231.256 / Formal charge: 0
Others

5top

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7G4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5TOP
History
Create componentOct 19, 2016
Initial releaseNov 8, 2017
Modify synonymsMar 13, 2021
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 12.01C1%12C%11C4C35
CACTVS 3.385[Ru].C1CCCC1.C2CCCC2
OpenEye OEToolkits 2.0.6C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91

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SMILES CANONICAL

CACTVS 3.385[Ru].C1CCCC1.C2CCCC2
OpenEye OEToolkits 2.0.6C12C3[Ru]1456789(C2C4C53)C1C6C7C8C91

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InChI

InChI 1.03InChI=1S/2C5H5.Ru/c2*1-2-4-5-3-1;/h2*1-5H;

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InChIKey

InChI 1.03BKEJVRMLCVMJLG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01bis[(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
OpenEye OEToolkits 2.0.6ruthenocene

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PDB entries

Showing all 2 items

PDB-5top:
Atomic Resolution X-Ray Crystal Structure of a Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with CTX-M-14 S70G Beta-Lactamase

PDB-6vnu:
X-ray Crystal Structure of Ruthenocenyl-7-Aminocephalosporanic Acid Covalent Acyl-Enzyme Complex with CTX-M-14 E166A Beta-Lactamase

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