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

Submission ID: 06X
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 69.0817
  Fragment main chain atoms: [4, 28, 20]
  Fragment all atoms: [4, 38, 39, 1, 29, 30, 31, 28, 20, 25]
  

• C₅H₆N₂O₁
  Fragment probability: 0.33
  Fragment mass: 101.1267
  Fragment main chain atoms: [10, 27, 11]
  Fragment all atoms: [10, 46, 47, 9, 44, 45, 22, 27, 11, 48, 49, 15, 18, 23]
  

• C₂H₃O₂
  Fragment probability: 0.97
  Fragment mass: 55.0552
  Fragment main chain atoms: [19, 26, 3]
  Fragment all atoms: [19, 24, 26, 3, 35, 36, 37]
  

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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