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

Submission ID: 9EJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.46
• Compound probability: 0.28

List of identified carbohydrate fragments:

• C₆H₁₁N₂O₁
  Fragment probability: 0.46
  Fragment mass: 152.2163
  Fragment main chain atoms: [1, 5, 34, 18, 16, 30, 27]
  Fragment all atoms: [1, 40, 41, 42, 5, 52, 53, 34, 18, 70, 3, 46, 47, 48, 16, 67, 68, 30, 27, 37]
  

• C₆H₁₁N₂O₁
  Fragment probability: 0.46
  Fragment mass: 152.2163
  Fragment main chain atoms: [2, 6, 34, 18, 16, 30, 27]
  Fragment all atoms: [2, 43, 44, 45, 6, 54, 55, 34, 18, 70, 3, 46, 47, 48, 16, 67, 68, 30, 27, 37]
  

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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