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

Submission ID: G8Q
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₁₀H₁₆N₂O₃
  Fragment probability: 0.50
  Fragment mass: 201.2422
  Fragment main chain atoms: [14, 13, 18, 15, 21, 16, 1]
  Fragment all atoms: [14, 45, 19, 48, 17, 13, 44, 12, 9, 8, 39, 38, 18, 15, 46, 20, 49, 21, 16, 2, 3, 26, 27, 28, 29, 30, 31, 1, 23, 24, 25]
  

• C₆H₈N₂O₁
  Fragment probability: 0.36
  Fragment mass: 130.1216
  Fragment main chain atoms: [14, 13, 18, 4]
  Fragment all atoms: [14, 45, 19, 48, 17, 13, 44, 12, 9, 8, 39, 38, 18, 4, 32, 33, 34]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 16, 2]
  Fragment all atoms: [1, 23, 24, 25, 16, 3, 29, 30, 31, 21, 2, 26, 27, 28]
  

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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