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

Submission ID: NA9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₉H₁₁N₃O₄
  Fragment probability: 0.45
  Fragment mass: 228.22459999999998
  Fragment main chain atoms: [19, 13, 26, 18, 22, 28, 14, 1]
  Fragment all atoms: [19, 29, 30, 66, 13, 56, 57, 26, 18, 60, 10, 51, 52, 15, 59, 22, 32, 28, 14, 58, 21, 31, 27, 1, 33, 34, 35]
  

• C₇H₁₀N₂O₃
  Fragment probability: 0.50
  Fragment mass: 185.1801
  Fragment main chain atoms: [19, 13, 26, 18, 22, 28, 2]
  Fragment all atoms: [19, 29, 30, 66, 13, 56, 57, 26, 18, 60, 10, 51, 52, 15, 59, 22, 32, 28, 2, 36, 37, 38]
  

• C₄H₇N₂O₁
  Fragment probability: 0.45
  Fragment mass: 113.1143
  Fragment main chain atoms: [1, 14, 28, 2]
  Fragment all atoms: [1, 33, 34, 35, 14, 58, 21, 31, 27, 28, 2, 36, 37, 38]
  

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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