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

Submission ID: QPA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₆H₈N₁O₅
  Fragment probability: 0.69
  Fragment mass: 192.21250000000003
  Fragment main chain atoms: [4, 3, 2, 17, 6, 5]
  Fragment all atoms: [4, 8, 9, 26, 3, 23, 7, 2, 21, 22, 17, 6, 1, 18, 19, 20, 15, 5, 10, 11, 27]
  

• C₃H₄O₃
  Fragment probability: 0.97
  Fragment mass: 88.06190000000001
  Fragment main chain atoms: [5, 6, 1]
  Fragment all atoms: [5, 10, 11, 27, 6, 15, 1, 18, 19, 20]
  

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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