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- ChemComp-4TI: TITANIUM ION -

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Basic information

EntryDatabase: PDB chemical components / ID: 4TI
NameName: titanium ion

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Chemical information

Composition
Formula: Ti / Number of atoms: 1 / Formula weight: 47.867 / Formal charge: 4
OthersType: NON-POLYMER / PDB classification: HETAI / Three letter code: 4TI
History
Create componentNov 17, 2015
Initial releaseApr 27, 2016
External linksUniChem / ChemSpider / CompTox / HMDB / PubChem / SureChEMBL / 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 10.04[Ti+4]
CACTVS 3.341[Ti+4]
OpenEye OEToolkits 1.5.0[Ti+4]

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SMILES CANONICAL

CACTVS 3.341[Ti+4]
OpenEye OEToolkits 1.5.0[Ti+4]

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InChI

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

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InChIKey

InChI 1.03VEOOXLFYKHRLHJ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04Titanium
OpenEye OEToolkits 1.5.0Titanium(+4) cation

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PDB entries

Showing all 5 items

PDB-5dyh:
Ti(IV) bound human serum transferrin

PDB-5h52:
Structure of Titanium-bound human serum transferrin

PDB-6g5c:
Interaction of TiO2 nanoparticles (NM-101) with Lysozyme

PDB-7ffm:
Human serum transferrin with five osmium binding sites

PDB-9n46:
Methyl-coenzyme M Reductase red1/red1-silent ensemble

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