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

Submission ID: B9L
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.40
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₉H₁₂N₂O₂
  Fragment probability: 0.40
  Fragment mass: 158.19770000000003
  Fragment main chain atoms: [14, 17, 24, 21, 20, 22, 1]
  Fragment all atoms: [14, 44, 45, 25, 51, 17, 46, 12, 41, 42, 16, 24, 21, 26, 20, 47, 11, 39, 40, 15, 22, 1, 27, 28, 29]
  

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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