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

Submission ID: 8RQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.20

List of identified carbohydrate fragments:

• C₂H₄O₁
  Fragment probability: 0.75
  Fragment mass: 39.0558
  Fragment main chain atoms: [1, 26]
  Fragment all atoms: [1, 45, 46, 47, 26, 38, 90]
  

• C₂H₄N₁
  Fragment probability: 0.40
  Fragment mass: 54.0704
  Fragment main chain atoms: [2, 35, 23]
  Fragment all atoms: [2, 48, 49, 50, 35, 23, 83]
  

• C₇H₁₂N₁O₁
  Fragment probability: 0.47
  Fragment mass: 95.142
  Fragment main chain atoms: [2, 35, 23, 29, 26]
  Fragment all atoms: [2, 48, 49, 50, 35, 23, 83, 29, 11, 67, 68, 8, 61, 62, 26, 1, 45, 46, 47, 38, 90]
  

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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