• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: BO9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.61
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₉H₁₅N₁O₄
  Fragment probability: 0.61
  Fragment mass: 188.2005
  Fragment main chain atoms: [23, 20, 31, 25, 41, 26, 2]
  Fragment all atoms: [23, 34, 35, 80, 20, 75, 13, 65, 66, 14, 67, 68, 31, 25, 37, 41, 26, 3, 4, 48, 49, 50, 51, 52, 53, 2, 45, 46, 47]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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