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

Submission ID: AFA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.74

List of identified carbohydrate fragments:

• C₅H₄N₁O₃
  Fragment probability: 0.45
  Fragment mass: 112.10640000000001
  Fragment main chain atoms: [13, 10, 15, 12]
  Fragment all atoms: [13, 18, 19, 39, 10, 35, 8, 32, 33, 11, 15, 12, 17]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 53.0823
  Fragment main chain atoms: [3, 4]
  Fragment all atoms: [3, 26, 4, 27, 6, 29, 30, 9, 34]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [3, 5]
  Fragment all atoms: [3, 26, 4, 27, 6, 29, 30, 5, 28]
  

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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