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

Submission ID: DPA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₃H₂N₁O₂
  Fragment probability: 0.43
  Fragment mass: 101.0805
  Fragment main chain atoms: [1, 8, 17]
  Fragment all atoms: [1, 20, 21, 8, 13, 16, 14, 17]
  

• C₄H₅N₁O₂
  Fragment probability: 0.50
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [2, 17, 8, 1]
  Fragment all atoms: [2, 22, 23, 24, 17, 8, 13, 16, 14, 1, 20, 21]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [2, 17, 8]
  Fragment all atoms: [2, 22, 23, 24, 17, 8, 1, 20, 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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