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

Submission ID: SK7
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.56

List of identified carbohydrate fragments:

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 87.0969
  Fragment main chain atoms: [4, 7, 5]
  Fragment all atoms: [4, 24, 25, 13, 29, 7, 3, 23, 8, 5, 26, 27, 14, 30]
  

• C₆H₇N₁O₂
  Fragment probability: 0.42
  Fragment mass: 113.1143
  Fragment main chain atoms: [4, 7, 3]
  Fragment all atoms: [4, 24, 25, 13, 29, 7, 5, 26, 27, 14, 30, 3, 23, 8, 6, 12]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 70.0896
  Fragment main chain atoms: [4, 7]
  Fragment all atoms: [4, 24, 25, 13, 29, 7]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 87.0969
  Fragment main chain atoms: [5, 7]
  Fragment all atoms: [5, 26, 27, 14, 30, 7]
  

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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