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

Submission ID: B9U
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.59
• Compound probability: 0.62

List of identified carbohydrate fragments:

• C₉H₁₅N₁O₃
  Fragment probability: 0.55
  Fragment mass: 174.21689999999998
  Fragment main chain atoms: [9, 12, 18, 16, 15, 10, 1]
  Fragment all atoms: [9, 35, 36, 19, 42, 12, 38, 7, 32, 33, 11, 18, 16, 21, 15, 39, 20, 43, 10, 37, 2, 25, 26, 27, 1, 22, 23, 24]
  

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [9, 12, 18, 16]
  Fragment all atoms: [9, 35, 36, 19, 42, 12, 38, 7, 32, 33, 11, 18, 16, 21]
  

• C₅H₉N₁O₂
  Fragment probability: 0.59
  Fragment mass: 101.12339999999999
  Fragment main chain atoms: [1, 10, 15, 16]
  Fragment all atoms: [1, 22, 23, 24, 10, 37, 2, 25, 26, 27, 15, 39, 20, 43, 16, 21, 18]
  

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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