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

Submission ID: G8G
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₅H₆N₁O₁
  Fragment probability: 0.36
  Fragment mass: 110.11370000000001
  Fragment main chain atoms: [7, 16, 8, 1]
  Fragment all atoms: [7, 41, 17, 16, 8, 11, 3, 34, 35, 1, 28, 29, 30]
  

• C₄H₄N₁O₁
  Fragment probability: 0.33
  Fragment mass: 124.14020000000001
  Fragment main chain atoms: [7, 16, 8, 11]
  Fragment all atoms: [7, 41, 17, 16, 8, 1, 28, 29, 30, 11]
  

• C₃H₄O₁
  Fragment probability: 0.50
  Fragment mass: 82.0805
  Fragment main chain atoms: [4, 3, 11]
  Fragment all atoms: [4, 36, 37, 23, 3, 34, 35, 11]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 39.0558
  Fragment main chain atoms: [1, 8]
  Fragment all atoms: [1, 28, 29, 30, 8]
  

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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