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

Submission ID: N33
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.97

List of identified carbohydrate fragments:

• C₆H₉N₂O₃
  Fragment probability: 1.00
  Fragment mass: 161.17850000000004
  Fragment main chain atoms: [6, 15, 14, 11, 5, 1]
  Fragment all atoms: [6, 45, 21, 15, 54, 35, 14, 53, 29, 72, 11, 50, 26, 69, 5, 44, 20, 1, 36, 37]
  

• C₆H₉N₁O₅
  Fragment probability: 1.00
  Fragment mass: 177.15480000000002
  Fragment main chain atoms: [10, 17, 13, 8, 34, 19, 28, 52, 71]
  Fragment all atoms: [10, 49, 23, 17, 56, 32, 13, 8, 47, 3, 40, 41, 25, 68, 34, 19, 58, 35, 28, 52, 71]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [9, 18, 33, 7, 12, 16, 30, 57, 73, 27, 51, 70]
  Fragment all atoms: [9, 48, 22, 18, 33, 7, 46, 2, 38, 39, 24, 67, 12, 16, 55, 31, 30, 57, 73, 27, 51, 70]
  

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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