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- ChemComp-ZR: ZIRCONIUM ION -

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Basic information

EntryDatabase: PDB chemical components / ID: ZR
NameName: zirconium ion

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Chemical information

Composition
Formula: Zr / Number of atoms: 1 / Formula weight: 91.224 / Formal charge: 4
OthersType: NON-POLYMER / PDB classification: HETAI / Three letter code: ZR / Ideal coordinates details: Corina
History
Create componentJun 17, 2016
Initial releaseApr 26, 2017
External linksUniChem / ChemSpider / Brenda / CompTox / HMDB / 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

ACDLabs 12.01[Zr+4]
CACTVS 3.385[Zr+4]
OpenEye OEToolkits 1.7.6[Zr+4]

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SMILES CANONICAL

CACTVS 3.385[Zr+4]
OpenEye OEToolkits 1.7.6[Zr+4]

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InChI

InChI 1.03InChI=1S/Zr/q+4

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InChIKey

InChI 1.03GBNDTYKAOXLLID-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01zirconium(4+)
OpenEye OEToolkits 1.7.6zirconium(4+)

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PDB entries

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PDB-5khp:
Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications

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