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

Submission ID: 55Q
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.60
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₁₀H₁₇N₂O₂
  Fragment probability: 0.48
  Fragment mass: 179.19540000000003
  Fragment main chain atoms: [26, 50, 32, 21, 31, 43, 8]
  Fragment all atoms: [26, 6, 67, 68, 69, 44, 50, 32, 104, 36, 40, 21, 95, 96, 31, 103, 23, 98, 2, 3, 55, 56, 57, 58, 59, 60, 43, 8, 73, 74, 75]
  

• C₅H₈O₂
  Fragment probability: 0.60
  Fragment mass: 87.0969
  Fragment main chain atoms: [38, 25, 5]
  Fragment all atoms: [38, 48, 49, 108, 25, 100, 19, 91, 92, 28, 101, 5, 64, 65, 66]
  

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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