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Yorodumi- ChemComp-YS9: (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-6-hydroxy-6-methylheptan-2-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YS9 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C31H52O3 / Number of atoms: 86 / Formula weight: 472.743 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: YS9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WTQ | ||||
History |
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External links | UniChem / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / ZINC / ChemSpider / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | 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-3wtq:
Crystal structure of VDR-LBD complexed with 22S-butyl-2-methylidene-19-nor-1a,25-dihydroxyvitamin D3