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

Submission ID: 7K9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.42
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₅H₆N₂O₂
  Fragment probability: 0.42
  Fragment mass: 147.17679999999996
  Fragment main chain atoms: [35, 39, 17, 7, 21, 41, 37]
  Fragment all atoms: [35, 51, 39, 17, 75, 76, 7, 63, 64, 21, 83, 84, 41, 37, 53]
  

• C₅H₆N₂O₂
  Fragment probability: 0.42
  Fragment mass: 147.17679999999996
  Fragment main chain atoms: [36, 40, 18, 8, 22, 42, 38]
  Fragment all atoms: [36, 52, 40, 18, 77, 78, 8, 65, 66, 22, 85, 86, 42, 38, 54]
  

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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