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

Submission ID: EZA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.13

List of identified carbohydrate fragments:

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [7, 13]
  Fragment all atoms: [7, 71, 6, 69, 70, 5, 67, 68, 13, 82]
  

• C₅H₆N₁O₁
  Fragment probability: 0.36
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [7, 13, 33]
  Fragment all atoms: [7, 71, 6, 69, 70, 5, 67, 68, 13, 82, 33, 48, 43]
  

• C₄H₄N₁O₁
  Fragment probability: 0.33
  Fragment mass: 54.0473
  Fragment main chain atoms: [13, 33]
  Fragment all atoms: [13, 82, 7, 71, 6, 69, 70, 33, 48, 43]
  

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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