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

Submission ID: FC7
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [26, 25, 27, 21, 39, 30, 84, 35, 91, 34, 83, 90]
  Fragment all atoms: [26, 25, 27, 85, 41, 21, 81, 14, 74, 75, 38, 39, 30, 88, 40, 84, 35, 91, 34, 83, 90]
  

• C₅H₈O₁
  Fragment probability: 0.50
  Fragment mass: 58.0789
  Fragment main chain atoms: [13, 36, 7]
  Fragment all atoms: [13, 72, 73, 17, 78, 8, 20, 63, 64, 36, 7, 60, 61, 62]
  

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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