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

Submission ID: 56E
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.80
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₄H₇N₁O₂
  Fragment probability: 0.61
  Fragment mass: 86.1121
  Fragment main chain atoms: [3, 14, 9]
  Fragment all atoms: [3, 22, 23, 1, 16, 17, 18, 14, 9, 5, 25, 26, 11, 12]
  

• C₅H₇N₁O₃
  Fragment probability: 0.59
  Fragment mass: 126.13289999999999
  Fragment main chain atoms: [3, 14, 9, 5, 11, 10]
  Fragment all atoms: [3, 22, 23, 1, 16, 17, 18, 14, 9, 12, 5, 25, 26, 11, 10, 13]
  

• C₃H₂N₁O₃
  Fragment probability: 0.80
  Fragment mass: 97.072
  Fragment main chain atoms: [9, 5, 11, 10]
  Fragment all atoms: [9, 12, 14, 5, 25, 26, 11, 10, 13]
  

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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