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

Submission ID: 2BB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.47
• Compound probability: 0.83

List of identified carbohydrate fragments:

• C₁₃H₁₉N₃O₄
  Fragment probability: 0.47
  Fragment mass: 239.22740000000007
  Fragment main chain atoms: [7, 19, 15, 12, 17, 13, 10, 11, 14]
  Fragment all atoms: [7, 43, 44, 45, 19, 15, 23, 12, 51, 16, 3, 4, 5, 31, 32, 33, 34, 35, 36, 37, 38, 39, 17, 13, 21, 10, 49, 8, 46, 47, 9, 48, 11, 50, 20, 54, 14, 22, 18]
  

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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