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

Submission ID: I13
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₇H₉N₂O₁
  Fragment probability: 0.34
  Fragment mass: 113.1374
  Fragment main chain atoms: [10, 30, 25, 13, 1]
  Fragment all atoms: [10, 47, 48, 9, 45, 46, 22, 30, 25, 13, 14, 5, 11, 41, 49, 1, 31, 32, 33]
  

• C₃H₄N₂O₁
  Fragment probability: 0.38
  Fragment mass: 113.1374
  Fragment main chain atoms: [10, 30, 25, 13]
  Fragment all atoms: [10, 47, 48, 9, 45, 46, 22, 30, 25, 13]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 39.0558
  Fragment main chain atoms: [1, 13]
  Fragment all atoms: [1, 31, 32, 33, 13]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 20]
  Fragment all atoms: [3, 37, 38, 39, 20]
  

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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