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Yorodumi- ChemComp-G72: (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: G72 |
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Name | Name: ( Synonyms: 1,25-dihydroxy-20S-21(3-trideuteromethyl-3-hydroxy-4,4,4-trideuterobutyl)-23-yne-26,27-hexafluoro-19-nor-cholecalciferol; Gemini-0072 |
-Chemical information
Composition | Formula: C31H44F6O4 / Number of atoms: 85 / Formula weight: 594.669 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: G72 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3O1D | ||||||
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 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | ( | |
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-PDB entries
Showing all 1 items
PDB-3o1d:
Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.