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

Submission ID: GJJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₅H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 96.1499
  Fragment main chain atoms: [2, 24, 29, 23]
  Fragment all atoms: [2, 36, 37, 38, 24, 4, 3, 42, 43, 44, 39, 40, 41, 29, 23, 33]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.0552
  Fragment main chain atoms: [1, 5]
  Fragment all atoms: [1, 34, 35, 5, 45]
  

• C₃H₃N₁O₁
  Fragment probability: 0.36
  Fragment mass: 55.0552
  Fragment main chain atoms: [1, 5, 20]
  Fragment all atoms: [1, 34, 35, 5, 45, 20, 31, 26]
  

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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