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

Submission ID: PCO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 0.89

List of identified carbohydrate fragments:

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 131.1493
  Fragment main chain atoms: [7, 11, 9, 10]
  Fragment all atoms: [7, 31, 32, 14, 36, 11, 1, 2, 19, 20, 21, 22, 23, 24, 9, 33, 16, 37, 10, 17, 13]
  

• C₅H₅N₂O₂
  Fragment probability: 0.38
  Fragment mass: 154.16609999999997
  Fragment main chain atoms: [10, 13, 4, 3, 8, 12, 5]
  Fragment all atoms: [10, 17, 13, 4, 27, 28, 3, 25, 26, 8, 15, 12, 5, 29]
  

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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