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

Submission ID: 0TT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₅H₉N₁O₃
  Fragment probability: 1.00
  Fragment mass: 131.1295
  Fragment main chain atoms: [3, 11, 13, 34, 15]
  Fragment all atoms: [3, 40, 41, 11, 52, 28, 62, 13, 54, 7, 47, 48, 26, 60, 34, 15, 56, 24]
  

• C₅H₉N₁O₃
  Fragment probability: 1.00
  Fragment mass: 131.1295
  Fragment main chain atoms: [2, 10, 12, 33, 14]
  Fragment all atoms: [2, 38, 39, 10, 51, 27, 61, 12, 53, 6, 45, 46, 25, 59, 33, 14, 55, 23]
  

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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