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

Submission ID: 9GA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₅H₈N₁O₁
  Fragment probability: 0.45
  Fragment mass: 70.1127
  Fragment main chain atoms: [3, 21, 4]
  Fragment all atoms: [3, 42, 43, 44, 21, 17, 55, 14, 28, 34, 57, 4, 45, 46, 47]
  

• C₈H₁₀N₁O₂
  Fragment probability: 0.41
  Fragment mass: 106.1448
  Fragment main chain atoms: [3, 21, 17, 28, 20]
  Fragment all atoms: [3, 42, 43, 44, 21, 4, 45, 46, 47, 34, 57, 17, 55, 14, 6, 5, 49, 48, 28, 20, 33]
  

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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