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

Submission ID: 403
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.76
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₄H₄N₂O₄
  Fragment probability: 0.76
  Fragment mass: 82.05739999999999
  Fragment main chain atoms: [17, 18]
  Fragment all atoms: [17, 49, 19, 27, 22, 25, 52, 18, 50, 20, 28, 24, 26, 53]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 71.0546
  Fragment main chain atoms: [17, 19]
  Fragment all atoms: [17, 49, 25, 52, 19, 27, 22]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 71.0546
  Fragment main chain atoms: [18, 20]
  Fragment all atoms: [18, 50, 26, 53, 20, 28, 24]
  

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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