+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TB0 | ||
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Name | Name: Wikipedia | Wikipedia - Tert-Butyl isocyanide: tert-Butyl isocyanide is an organic compound with the formula Me3CNC (Me = methyl, CH3). It is an isocyanide, commonly called isonitrile or carbylamine, as defined by the functional group C≡N-R... | |
-Chemical information
Composition | Formula: C5H9N / Number of atoms: 15 / Formula weight: 83.132 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TB0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZPE | ||||
History |
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External links | Brenda / CompTox / UniChem / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 5 items
PDB-2zpe:
nitrosylated Fe-type nitrile hydratase with tert-butylisonitrile
PDB-2zpf:
Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 18min at 293K
PDB-2zpg:
Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 120min at 293K
PDB-2zph:
Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 340min at 293K
PDB-2zpi:
Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 440min at 293K