+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PTO | ||||
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Name | Name: Wikipedia | Wikipedia - Pseudotropine: Pseudotropine is a derivative of tropane and an isomer of tropine. Pseudotropine can be found in the Coca plant along with several other alkaloids
... | Comment | alkaloid*YM | |
-Chemical information
Composition | Formula: C8H15NO / Number of atoms: 25 / Formula weight: 141.211 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PTO / Model coordinates PDB-ID: 2AE2 | ||||
History |
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External links | Brenda / UniChem / ChEBI / ChEMBL / ChemicalBook / DrugBank / Metabolights / NMRShiftDB / Nikkaji / 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 1 items
PDB-2ae2:
TROPINONE REDUCTASE-II COMPLEXED WITH NADP+ AND PSEUDOTROPINE