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

Submission ID: ICX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 72.08560000000001
  Fragment main chain atoms: [22, 30, 1]
  Fragment all atoms: [22, 16, 52, 53, 26, 28, 30, 1, 31, 32, 33]
  

• C₄H₆N₁
  Fragment probability: 0.33
  Fragment mass: 55.0783
  Fragment main chain atoms: [4, 14]
  Fragment all atoms: [4, 38, 2, 34, 35, 3, 36, 37, 14, 49, 25]
  

• C₅H₆N₁O₁
  Fragment probability: 0.36
  Fragment mass: 79.0997
  Fragment main chain atoms: [4, 14, 25, 23]
  Fragment all atoms: [4, 38, 2, 34, 35, 3, 36, 37, 14, 49, 25, 23, 29]
  

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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