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

Submission ID: EP2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 72.08560000000001
  Fragment main chain atoms: [19, 40, 5]
  Fragment all atoms: [19, 12, 69, 70, 27, 33, 40, 5, 54, 55, 56]
  

• C₉H₈N₃O₅
  Fragment probability: 0.43
  Fragment mass: 241.20030000000006
  Fragment main chain atoms: [19, 12, 27, 18, 11, 28, 22, 15, 29, 23]
  Fragment all atoms: [19, 33, 40, 12, 69, 70, 27, 18, 32, 11, 67, 68, 28, 22, 34, 15, 73, 9, 63, 64, 13, 71, 29, 23, 35]
  

• C₁₀H₁₁N₃O₅
  Fragment probability: 0.46
  Fragment mass: 256.23470000000003
  Fragment main chain atoms: [5, 40, 19, 12, 27, 18, 11, 28, 22, 15, 29, 23]
  Fragment all atoms: [5, 54, 55, 56, 40, 19, 33, 12, 69, 70, 27, 18, 32, 11, 67, 68, 28, 22, 34, 15, 73, 9, 63, 64, 13, 71, 29, 23, 35]
  

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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