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

Submission ID: 3OO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.39
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₄H₉N₁
  Fragment probability: 0.39
  Fragment mass: 57.113899999999994
  Fragment main chain atoms: [1, 14, 2]
  Fragment all atoms: [1, 19, 20, 21, 14, 3, 25, 26, 27, 17, 2, 22, 23, 24]
  

• C₅H₆N₂O₁
  Fragment probability: 0.33
  Fragment mass: 153.244
  Fragment main chain atoms: [13, 16, 8, 5, 9, 17, 14]
  Fragment all atoms: [13, 18, 16, 8, 33, 34, 5, 29, 30, 9, 35, 36, 17, 14]
  

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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