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

Submission ID: WIN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.64

List of identified carbohydrate fragments:

• C₁₃H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 195.14859999999996
  Fragment main chain atoms: [22, 28, 37, 10, 27]
  Fragment all atoms: [22, 71, 20, 69, 24, 39, 28, 23, 25, 72, 19, 68, 33, 75, 35, 36, 37, 10, 63, 64, 27, 21, 16, 70, 26, 67, 8, 59, 60, 38]
  

• C₅H₅O₂
  Fragment probability: 0.45
  Fragment mass: 69.03880000000001
  Fragment main chain atoms: [17, 7]
  Fragment all atoms: [17, 39, 30, 7, 58, 12, 11, 3, 65, 46, 47, 48]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [3, 12]
  Fragment all atoms: [3, 46, 47, 48, 12]
  

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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