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Yorodumi- ChemComp-1SS: (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 1SS |
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Name | Name: ( |
-Chemical information
Composition | Formula: C14H26N / Number of atoms: 41 / Formula weight: 208.363 / Formal charge: 1 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1SS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4KVD | ||||
History |
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External links | UniChem / Brenda / Nikkaji / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.6 | ( | |
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-PDB entries
Showing all 1 items
PDB-4kvd:
Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium