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

Submission ID: AA9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.40
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₉H₁₁N₃O₃
  Fragment probability: 0.40
  Fragment mass: 181.21120000000002
  Fragment main chain atoms: [2, 25, 37, 24, 33, 32, 39, 35]
  Fragment all atoms: [2, 50, 51, 52, 25, 85, 34, 42, 38, 37, 24, 83, 84, 33, 88, 41, 93, 32, 87, 20, 78, 79, 26, 39, 35, 43]
  

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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