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

Submission ID: 075
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 0.50
  Fragment mass: 207.20400000000004
  Fragment main chain atoms: [21, 33, 42, 30, 22, 56, 3]
  Fragment all atoms: [21, 85, 86, 54, 33, 47, 42, 30, 92, 37, 49, 43, 22, 87, 88, 56, 3, 63, 64, 65]
  

• C₁₀H₁₀N₃O₅
  Fragment probability: 0.43
  Fragment mass: 228.20150000000004
  Fragment main chain atoms: [21, 33, 42, 30, 37, 43, 29, 35, 39]
  Fragment all atoms: [21, 85, 86, 54, 33, 47, 42, 30, 92, 22, 87, 88, 37, 49, 43, 29, 91, 18, 80, 81, 24, 35, 95, 48, 101, 39, 51, 45]
  

• C₉H₁₁N₃O₃
  Fragment probability: 0.40
  Fragment mass: 249.26370000000006
  Fragment main chain atoms: [3, 56, 22, 30, 37, 43, 29, 35, 39]
  Fragment all atoms: [3, 63, 64, 65, 56, 22, 87, 88, 30, 92, 42, 37, 49, 43, 29, 91, 18, 80, 81, 24, 35, 95, 48, 101, 39, 51, 45]
  

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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