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

Submission ID: DH9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₅H₅N₁O₃
  Fragment probability: 0.50
  Fragment mass: 115.0872
  Fragment main chain atoms: [22, 30, 26, 29]
  Fragment all atoms: [22, 83, 31, 30, 26, 87, 20, 79, 80, 23, 84, 29, 35, 36]
  

• C₁₂H₁₈N₁O₅
  Fragment probability: 0.56
  Fragment mass: 199.20330000000004
  Fragment main chain atoms: [28, 25, 27, 21, 24, 36, 29]
  Fragment all atoms: [28, 33, 34, 91, 25, 86, 19, 77, 78, 17, 73, 74, 27, 88, 32, 90, 21, 81, 82, 24, 85, 18, 75, 76, 16, 71, 72, 36, 29, 26, 87, 20, 79, 80, 30, 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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