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

Submission ID: AYV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₄H₉N₁O₂
  Fragment probability: 0.61
  Fragment mass: 89.11269999999999
  Fragment main chain atoms: [7, 11, 8]
  Fragment all atoms: [7, 25, 26, 14, 31, 11, 1, 17, 18, 19, 13, 8, 27, 28, 15, 32]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 89.11269999999999
  Fragment main chain atoms: [7, 11]
  Fragment all atoms: [7, 25, 26, 14, 31, 11]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 72.1054
  Fragment main chain atoms: [8, 11]
  Fragment all atoms: [8, 27, 28, 15, 32, 11]
  

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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