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

Submission ID: PKA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₅H₁₂N₁
  Fragment probability: 0.36
  Fragment mass: 99.1307
  Fragment main chain atoms: [2, 14, 24, 3]
  Fragment all atoms: [2, 29, 30, 31, 14, 46, 4, 35, 36, 1, 26, 27, 28, 24, 3, 32, 33, 34]
  

• C₅H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 123.1554
  Fragment main chain atoms: [2, 14, 24, 21]
  Fragment all atoms: [2, 29, 30, 31, 14, 46, 4, 35, 36, 1, 26, 27, 28, 24, 21, 25]
  

• C₂H₃N₁O₁
  Fragment probability: 0.50
  Fragment mass: 94.0945
  Fragment main chain atoms: [3, 24, 21]
  Fragment all atoms: [3, 32, 33, 34, 24, 21, 25]
  

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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