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Yorodumi- ChemComp-VPA: 2-phenyl-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)ethyla... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VPA |
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Name | Name: Synonyms: 2-phenyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]e |
-Chemical information
Composition | Formula: C19H28N2O9 / Number of atoms: 58 / Formula weight: 428.434 / Formal charge: 0 | ||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: VPA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WQ5 | ||||||||||
History |
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External links | UniChem / ChemSpider / Brenda / PubChem / ZINC / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | [ | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-3wq5:
beta-Primeverosidase in complex with disaccharide substrate-analog N-beta-primeverosylamidine, natural aglycone derivative