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Yorodumi- ChemComp-E9S: (2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: E9S |
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Name | Name: ( |
-Chemical information
Composition | Formula: C10H7BrO5 / Number of atoms: 23 / Formula weight: 287.064 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: E9S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6BU1 | ||||
History |
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External links | UniChem / 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-6bu1:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid