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

Submission ID: BJL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.74

List of identified carbohydrate fragments:

• C₁₀H₁₃N₁O₆
  Fragment probability: 0.60
  Fragment mass: 232.21000000000004
  Fragment main chain atoms: [2, 23, 15, 12, 8, 13, 16, 11, 14]
  Fragment all atoms: [2, 27, 28, 1, 24, 25, 26, 23, 15, 22, 12, 38, 18, 41, 8, 35, 36, 13, 19, 16, 11, 37, 7, 33, 34, 9, 14, 20, 21, 42]
  

• C₅H₉O₃
  Fragment probability: 0.75
  Fragment mass: 87.0969
  Fragment main chain atoms: [2, 23, 15]
  Fragment all atoms: [2, 27, 28, 1, 24, 25, 26, 23, 15, 12, 38, 8, 35, 36, 18, 41, 22]
  

• C₈H₈N₁O₆
  Fragment probability: 0.59
  Fragment mass: 203.14910000000003
  Fragment main chain atoms: [14, 11, 16, 13, 8, 12, 15]
  Fragment all atoms: [14, 20, 21, 42, 11, 37, 7, 33, 34, 9, 16, 13, 19, 8, 35, 36, 12, 38, 18, 41, 15, 23, 22]
  

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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