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

Submission ID: 2JG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.57
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 88.085
  Fragment main chain atoms: [6, 8, 7]
  Fragment all atoms: [6, 25, 11, 8, 28, 10, 7, 26, 27, 13]
  

• C₆H₈N₁O₃
  Fragment probability: 0.54
  Fragment mass: 114.12219999999999
  Fragment main chain atoms: [6, 8, 7, 13, 9]
  Fragment all atoms: [6, 25, 11, 8, 28, 10, 7, 26, 27, 13, 9, 5, 23, 24, 4, 21, 22, 12]
  

• C₆H₈N₁O₂
  Fragment probability: 0.46
  Fragment mass: 85.10419999999999
  Fragment main chain atoms: [7, 13, 9]
  Fragment all atoms: [7, 26, 27, 8, 28, 6, 25, 10, 13, 9, 5, 23, 24, 4, 21, 22, 12]
  

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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