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

Submission ID: R17
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 56.0631
  Fragment main chain atoms: [14, 5]
  Fragment all atoms: [14, 45, 46, 25, 5, 34]
  

• C₃H₆N₁
  Fragment probability: 0.43
  Fragment mass: 98.14590000000001
  Fragment main chain atoms: [2, 24, 12, 3]
  Fragment all atoms: [2, 29, 30, 31, 24, 12, 41, 42, 3, 32]
  

• C₃H₆N₁
  Fragment probability: 0.43
  Fragment mass: 97.13800000000002
  Fragment main chain atoms: [2, 24, 13, 4]
  Fragment all atoms: [2, 29, 30, 31, 24, 13, 43, 44, 4, 33]
  

• C₃H₅N₁
  Fragment probability: 0.36
  Fragment mass: 55.0783
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 27, 28, 3, 32, 12, 41, 42, 24]
  

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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