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

Submission ID: SVX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₅H₈N₁O₂
  Fragment probability: 0.55
  Fragment mass: 150.1355
  Fragment main chain atoms: [3, 11, 13, 12, 4]
  Fragment all atoms: [3, 20, 21, 1, 14, 15, 16, 11, 13, 12, 4, 22, 23, 5, 24, 6, 7]
  

• C₅H₉N₁O₄
  Fragment probability: 0.77
  Fragment mass: 195.15290000000005
  Fragment main chain atoms: [3, 11, 13, 12, 4, 5, 6]
  Fragment all atoms: [3, 20, 21, 1, 14, 15, 16, 11, 13, 12, 4, 22, 23, 5, 24, 7, 6, 8, 9, 27]
  

• C₃H₈O₁
  Fragment probability: 0.50
  Fragment mass: 123.06729999999999
  Fragment main chain atoms: [3, 11, 13, 2]
  Fragment all atoms: [3, 20, 21, 1, 14, 15, 16, 11, 13, 2, 17, 18, 19]
  

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 104.08439999999999
  Fragment main chain atoms: [4, 5, 6]
  Fragment all atoms: [4, 22, 23, 12, 5, 24, 7, 6, 8, 9, 27]
  

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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