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Yorodumi- ChemComp-4W9: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydr... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4W9 |
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Name | Name: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h] ...Name: ( |
-Chemical information
Composition | Formula: C30H45NO5 / Number of atoms: 81 / Formula weight: 499.682 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4W9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5BU3 | ||||
History |
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External links | UniChem / ChemSpider / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 | ( |
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-PDB entries
Showing all 1 items
PDB-5bu3:
Crystal Structure of Diels-Alderase PyrI4 in complex with its product