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

Submission ID: SBL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 104.08439999999999
  Fragment main chain atoms: [10, 15, 17]
  Fragment all atoms: [10, 39, 40, 26, 15, 41, 19, 17, 22, 23, 46]
  

• C₈H₉N₂O₂
  Fragment probability: 0.36
  Fragment mass: 188.99680000000004
  Fragment main chain atoms: [10, 26, 18, 16, 20, 11, 1]
  Fragment all atoms: [10, 39, 40, 15, 41, 17, 19, 26, 18, 16, 42, 9, 37, 38, 13, 20, 11, 21, 1, 27, 28, 29]
  

• C₈H₁₀N₂O₄
  Fragment probability: 0.50
  Fragment mass: 234.01420000000005
  Fragment main chain atoms: [17, 15, 10, 26, 18, 16, 20, 11, 1]
  Fragment all atoms: [17, 22, 23, 46, 15, 41, 19, 10, 39, 40, 26, 18, 16, 42, 9, 37, 38, 13, 20, 11, 21, 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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