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

Submission ID: 11O
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₆H₈O₂
  Fragment probability: 0.50
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [12, 15, 19]
  Fragment all atoms: [12, 45, 10, 42, 7, 36, 37, 15, 50, 18, 52, 16, 51, 22, 19, 53]
  

• C₅H₈O₁
  Fragment probability: 0.50
  Fragment mass: 82.1003
  Fragment main chain atoms: [15, 12, 10]
  Fragment all atoms: [15, 50, 19, 53, 12, 45, 10, 42, 7, 36, 37, 5, 32, 33]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 68.0738
  Fragment main chain atoms: [15, 12]
  Fragment all atoms: [15, 50, 19, 53, 12, 45]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [10, 12]
  Fragment all atoms: [10, 42, 7, 36, 37, 5, 32, 33, 12, 45, 15, 50, 18, 52, 19, 53]
  

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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