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

Submission ID: C24
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 0.27

List of identified carbohydrate fragments:

• C₅H₉O₂
  Fragment probability: 0.65
  Fragment mass: 71.0975
  Fragment main chain atoms: [3, 37, 25]
  Fragment all atoms: [3, 44, 45, 1, 38, 39, 40, 37, 25, 13, 55, 56, 15, 58, 59, 35]
  

• C₆H₉N₁O₃
  Fragment probability: 0.58
  Fragment mass: 179.17559999999997
  Fragment main chain atoms: [3, 37, 25, 13, 15, 34, 27]
  Fragment all atoms: [3, 44, 45, 1, 38, 39, 40, 37, 25, 35, 13, 55, 56, 15, 58, 59, 34, 27, 36]
  

• C₄H₄N₁O₃
  Fragment probability: 0.56
  Fragment mass: 150.11469999999997
  Fragment main chain atoms: [25, 13, 15, 34, 27]
  Fragment all atoms: [25, 35, 37, 13, 55, 56, 15, 58, 59, 34, 27, 36]
  

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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