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

Submission ID: A9D
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 104.08439999999999
  Fragment main chain atoms: [7, 8, 12]
  Fragment all atoms: [7, 37, 38, 24, 8, 39, 15, 12, 19, 20, 44]
  

• C₆H₆N₂O₂
  Fragment probability: 0.36
  Fragment mass: 98.103
  Fragment main chain atoms: [7, 24, 13]
  Fragment all atoms: [7, 37, 38, 8, 39, 12, 15, 24, 13, 10, 41, 4, 31, 32, 16, 21]
  

• C₆H₇N₂O₄
  Fragment probability: 0.54
  Fragment mass: 143.1204
  Fragment main chain atoms: [12, 8, 7, 24, 13]
  Fragment all atoms: [12, 19, 20, 44, 8, 39, 15, 7, 37, 38, 24, 13, 10, 41, 4, 31, 32, 16, 21]
  

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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