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

Submission ID: 287
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.78
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₆H₆N₁O₁
  Fragment probability: 0.31
  Fragment mass: 79.0997
  Fragment main chain atoms: [3, 17, 28, 25]
  Fragment all atoms: [3, 41, 42, 43, 17, 57, 18, 8, 9, 50, 51, 28, 25, 33]
  

• C₂H₃N₁O₂
  Fragment probability: 0.78
  Fragment mass: 70.0698
  Fragment main chain atoms: [4, 34, 30, 24]
  Fragment all atoms: [4, 44, 45, 46, 34, 30, 24, 32]
  

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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