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

Submission ID: 343
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.47
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₁₈H₁₉N₂O₆
  Fragment probability: 0.41
  Fragment mass: 331.19489999999996
  Fragment main chain atoms: [17, 43, 30, 34, 24, 26, 35, 27, 45, 44, 25, 28]
  Fragment all atoms: [17, 67, 68, 20, 7, 8, 56, 57, 43, 30, 40, 34, 24, 70, 15, 64, 65, 19, 26, 37, 35, 27, 72, 18, 69, 1, 2, 46, 47, 48, 49, 50, 51, 45, 44, 25, 71, 21, 9, 16, 58, 66, 28, 38, 39, 80]
  

• C₉H₁₂N₁O₃
  Fragment probability: 0.47
  Fragment mass: 221.14720000000003
  Fragment main chain atoms: [28, 25, 44, 45, 27, 18, 1]
  Fragment all atoms: [28, 38, 39, 80, 25, 71, 21, 9, 16, 58, 66, 44, 45, 27, 72, 35, 18, 69, 2, 49, 50, 51, 1, 46, 47, 48]
  

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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