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

Submission ID: PCY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₉H₁₄N₃O₄
  Fragment probability: 1.00
  Fragment mass: 168.1926
  Fragment main chain atoms: [26, 28, 22, 23, 27]
  Fragment all atoms: [26, 4, 50, 51, 52, 38, 77, 28, 17, 68, 3, 47, 48, 49, 34, 75, 31, 22, 69, 29, 23, 70, 30, 27, 14, 66, 67, 40, 39, 78]
  

• C₅H₄O₃
  Fragment probability: 0.50
  Fragment mass: 83.0653
  Fragment main chain atoms: [14, 40, 24]
  Fragment all atoms: [14, 66, 67, 27, 26, 23, 70, 39, 78, 40, 24, 36]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 39.0558
  Fragment main chain atoms: [2, 16]
  Fragment all atoms: [2, 44, 45, 46, 16, 33]
  

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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