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

Submission ID: PZN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 0.50
  Fragment mass: 185.1801
  Fragment main chain atoms: [24, 14, 19, 22, 16, 34, 7]
  Fragment all atoms: [24, 37, 38, 14, 75, 76, 19, 82, 30, 22, 36, 16, 79, 80, 34, 7, 60, 61, 62]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [4, 28]
  Fragment all atoms: [4, 51, 52, 53, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [5, 28]
  Fragment all atoms: [5, 54, 55, 56, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [6, 28]
  Fragment all atoms: [6, 57, 58, 59, 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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