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

Submission ID: TH9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.95
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₄H₃N₁O₄
  Fragment probability: 0.83
  Fragment mass: 115.0641
  Fragment main chain atoms: [14, 17, 21]
  Fragment all atoms: [14, 49, 18, 22, 20, 17, 19, 24, 23, 52, 21, 51]
  

• C₃H₃O₃
  Fragment probability: 0.95
  Fragment mass: 115.06410000000001
  Fragment main chain atoms: [19, 17, 14]
  Fragment all atoms: [19, 24, 23, 52, 17, 21, 51, 14, 49]
  

• C₄H₂N₁O₂
  Fragment probability: 0.33
  Fragment mass: 70.0467
  Fragment main chain atoms: [14, 18]
  Fragment all atoms: [14, 49, 17, 19, 21, 51, 18, 22, 20]
  

• C₃H₂N₁O₂
  Fragment probability: 0.43
  Fragment mass: 98.05680000000001
  Fragment main chain atoms: [17, 14, 18]
  Fragment all atoms: [17, 21, 51, 14, 49, 18, 22, 20]
  

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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