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

Submission ID: 0AR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.43
• Compound probability: 0.93

List of identified carbohydrate fragments:

• C₆H₈N₂O₂
  Fragment probability: 0.43
  Fragment mass: 173.1925
  Fragment main chain atoms: [7, 6, 3, 2, 4, 11, 8]
  Fragment all atoms: [7, 14, 15, 31, 6, 25, 9, 3, 21, 22, 2, 19, 20, 4, 23, 24, 11, 8]
  

• C₃H₃N₁O₁
  Fragment probability: 0.36
  Fragment mass: 100.099
  Fragment main chain atoms: [1, 5, 12, 8]
  Fragment all atoms: [1, 16, 17, 18, 5, 13, 12, 8]
  

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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