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

Submission ID: RGA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.60
• Compound probability: 0.12

List of identified carbohydrate fragments:

• C₂H₄N₁O₁
  Fragment probability: 0.60
  Fragment mass: 85.0844
  Fragment main chain atoms: [34, 55, 8]
  Fragment all atoms: [34, 140, 56, 55, 8, 90, 91, 92]
  

• C₅H₆N₁O₁
  Fragment probability: 0.36
  Fragment mass: 112.12950000000001
  Fragment main chain atoms: [34, 55, 27, 17]
  Fragment all atoms: [34, 140, 56, 55, 27, 128, 17, 115, 19, 117, 118, 47, 150]
  

• C₅H₈N₁
  Fragment probability: 0.36
  Fragment mass: 98.12280000000001
  Fragment main chain atoms: [8, 55, 27, 17]
  Fragment all atoms: [8, 90, 91, 92, 55, 27, 128, 17, 115, 19, 117, 118, 47, 150]
  

• C₄H₅N₁
  Fragment probability: 0.28
  Fragment mass: 54.0704
  Fragment main chain atoms: [17, 27]
  Fragment all atoms: [17, 115, 19, 117, 118, 47, 150, 27, 128, 55]
  

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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