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Yorodumi- ChemComp-DQT: methyl 3-deoxy-2-O-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-b... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: DQT |
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Name | Name: Synonyms: methyl 3-deoxy-2-O-4-toluoyl-3-(4-toluoyl)amino-beta-D-talopyranoside |
-Chemical information
Composition | Formula: C23H27NO7 / Number of atoms: 58 / Formula weight: 429.463 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DQT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3T1M | ||||
History |
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External links | UniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / ZINC / 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 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | [( | |
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-PDB entries
Showing all 1 items
PDB-3t1m:
Crystal structure of human galectin-3 carbohydrate recognition domain in complex with methyl 3-deoxy-2-O-toluoyl-3-N-toluoyl-beta-D-talopyranoside