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Yorodumi- ChemComp-9BU: (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-di... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9BU |
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Name | Name: ( |
-Chemical information
Composition | Formula: C22H29ClO5 / Number of atoms: 57 / Formula weight: 408.916 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 9BU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5ZFA | ||||
History |
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External links | UniChem / PubChem / PubChem_TPharma / SureChEMBL / 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 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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 2.0.6 | [( | |
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-PDB entries
Showing all 1 items
PDB-5zfa:
Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr