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

Submission ID: K57
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.39
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₄H₉N₁
  Fragment probability: 0.39
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 27, 3]
  Fragment all atoms: [2, 41, 42, 43, 27, 4, 47, 48, 49, 30, 3, 44, 45, 46]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [2, 27]
  Fragment all atoms: [2, 41, 42, 43, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [3, 27]
  Fragment all atoms: [3, 44, 45, 46, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [4, 27]
  Fragment all atoms: [4, 47, 48, 49, 27]
  

• C₆H₅N₂O₃
  Fragment probability: 0.39
  Fragment mass: 124.11710000000001
  Fragment main chain atoms: [26, 22, 20, 29, 24]
  Fragment all atoms: [26, 36, 31, 22, 69, 33, 74, 20, 68, 15, 64, 65, 18, 29, 24, 34]
  

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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