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

Submission ID: AKN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.82

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [16, 15, 13, 9, 37, 22, 34, 61, 82, 60, 33, 81, 58, 31, 79]
  Fragment all atoms: [16, 15, 13, 9, 54, 4, 47, 48, 24, 37, 22, 66, 39, 34, 61, 82, 60, 33, 81, 58, 31, 79]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [14, 11, 12, 10, 38, 21, 59, 32, 80, 30, 57, 78]
  Fragment all atoms: [14, 11, 56, 26, 12, 10, 55, 5, 49, 50, 28, 76, 38, 21, 65, 40, 59, 32, 80, 30, 57, 78]
  

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 159.1627
  Fragment main chain atoms: [3, 6, 18, 17, 19, 7]
  Fragment all atoms: [3, 45, 46, 6, 51, 25, 18, 63, 39, 17, 62, 35, 83, 19, 64, 40, 7, 52, 27]
  

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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