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

Submission ID: MWG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₅H₈O₁
  Fragment probability: 0.50
  Fragment mass: 68.1167
  Fragment main chain atoms: [2, 10, 3]
  Fragment all atoms: [2, 24, 25, 26, 10, 6, 31, 32, 4, 28, 29, 18, 3, 27]
  

• C₅H₈O₁
  Fragment probability: 0.50
  Fragment mass: 55.0552
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 22, 23, 3, 27, 10, 2, 6, 24, 25, 26, 31, 32, 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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