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

Submission ID: TSL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.55
• Compound probability: 0.80

List of identified carbohydrate fragments:

• C₈H₁₁N₁O₃
  Fragment probability: 0.50
  Fragment mass: 140.1165
  Fragment main chain atoms: [5, 3, 4, 9, 6, 7]
  Fragment all atoms: [5, 24, 10, 3, 22, 4, 23, 9, 6, 25, 8, 1, 2, 16, 17, 18, 19, 20, 21, 7, 11, 12, 27]
  

• C₂H₂O₁
  Fragment probability: 0.50
  Fragment mass: 70.0698
  Fragment main chain atoms: [5, 3]
  Fragment all atoms: [5, 24, 10, 3, 22]
  

• C₃H₃N₁O₁
  Fragment probability: 0.36
  Fragment mass: 70.0698
  Fragment main chain atoms: [5, 3, 4]
  Fragment all atoms: [5, 24, 10, 3, 22, 4, 23, 9]
  

• C₅H₈N₁O₂
  Fragment probability: 0.55
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [7, 6, 8, 1]
  Fragment all atoms: [7, 11, 12, 27, 6, 25, 9, 8, 2, 19, 20, 21, 1, 16, 17, 18]
  

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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