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Yorodumi- ChemComp-5EI: methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyra... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5EI |
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Name | Name: |
-Chemical information
Composition | Formula: C22H23NO10 / Number of atoms: 56 / Formula weight: 461.419 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 5EI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7RH1 | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / 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 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | [( | |
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-PDB entries
Showing all 1 items
PDB-7rh1:
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside