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Yorodumi- ChemComp-5M2: (~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-b... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5M2 |
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Name | Name: (~{ |
-Chemical information
Composition | Formula: C13H11NO4 / Number of atoms: 29 / Formula weight: 245.231 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5M2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5ECV | ||||
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
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.4 | (~{ |
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-PDB entries
Showing all 1 items
PDB-5ecv:
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(4-methyl-1H-indol-5-yl)-4-oxobut-2-enoic acid