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

Submission ID: GAP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [8, 9, 12, 25, 5]
  Fragment all atoms: [8, 35, 20, 43, 9, 36, 21, 44, 12, 37, 18, 25, 5, 34, 2, 30, 31, 24]
  

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 181.08349999999996
  Fragment main chain atoms: [2, 24, 27, 26, 6]
  Fragment all atoms: [2, 30, 31, 24, 27, 26, 6, 1, 28, 29, 13, 19]
  

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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