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

Submission ID: 2KN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 68.0969
  Fragment main chain atoms: [1, 4, 16, 13]
  Fragment all atoms: [1, 22, 23, 24, 4, 31, 32, 16, 13, 19]
  

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 68.0969
  Fragment main chain atoms: [2, 5, 17, 14]
  Fragment all atoms: [2, 25, 26, 27, 5, 33, 34, 17, 14, 20]
  

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 68.0969
  Fragment main chain atoms: [3, 6, 18, 15]
  Fragment all atoms: [3, 28, 29, 30, 6, 35, 36, 18, 15, 21]
  

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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