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

Submission ID: 3AI
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [23, 20, 15, 2]
  Fragment all atoms: [23, 31, 30, 70, 20, 64, 27, 15, 60, 5, 45, 46, 1, 33, 34, 35, 2, 36, 37, 38]
  

• C₈H₁₂N₂O₃
  Fragment probability: 0.50
  Fragment mass: 157.1469
  Fragment main chain atoms: [23, 20, 27, 21, 16, 3]
  Fragment all atoms: [23, 31, 30, 70, 20, 64, 15, 60, 2, 5, 36, 37, 38, 45, 46, 27, 21, 28, 16, 61, 26, 3, 39, 40, 41]
  

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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