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Yorodumi- ChemComp-9MR: (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-gluco... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 9MR |
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Name | Name: ( Synonyms: CELLOBIOSE-LIKE ISOFAGOMINE; (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucoside; |
-Chemical information
Composition | Formula: C12H23NO8 / Number of atoms: 44 / Formula weight: 309.313 / Formal charge: 0 | ||||||||||||||||||||||
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Others | Type: D-saccharide / PDB classification: ATOMS / Three letter code: 9MR / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 / Parent comp.: BGC | ||||||||||||||||||||||
History |
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External links | UniChem / ChemSpider / Brenda / Nikkaji / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 5 items
PDB-2oyk:
Endo-glycoceramidase II from Rhodococcus sp.: cellobiose-like isofagomine complex
PDB-3cuf:
Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with cellobiose-like isofagomine
PDB-3rx7:
Structure of AaCel9A in complex with cellotetraose-like isofagomine
PDB-3rx8:
structure of AaCel9A in complex with cellobiose-like isofagomine
PDB-5vma:
Structure of B. pumilus GH48 in complex with a cellobio-derived isofagomine