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

Submission ID: 86A
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.47
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₉H₁₂N₁O₃
  Fragment probability: 0.47
  Fragment mass: 221.14720000000003
  Fragment main chain atoms: [21, 19, 32, 33, 20, 14, 1]
  Fragment all atoms: [21, 28, 29, 61, 19, 54, 16, 9, 13, 46, 52, 32, 33, 20, 55, 26, 14, 53, 2, 37, 38, 39, 1, 34, 35, 36]
  

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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