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

Submission ID: 8DP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 0.73
  Fragment mass: 130.1216
  Fragment main chain atoms: [5, 11, 13, 10]
  Fragment all atoms: [5, 39, 40, 30, 11, 41, 23, 47, 13, 42, 24, 48, 10, 4, 37, 38, 21, 22]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 73.0704
  Fragment main chain atoms: [5, 11]
  Fragment all atoms: [5, 39, 40, 30, 11, 41, 23, 47]
  

• C₅H₈O₄
  Fragment probability: 0.80
  Fragment mass: 101.0805
  Fragment main chain atoms: [5, 11, 13]
  Fragment all atoms: [5, 39, 40, 30, 11, 41, 23, 47, 13, 42, 10, 4, 37, 38, 22, 24, 48]
  

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 83.08840000000001
  Fragment main chain atoms: [10, 13]
  Fragment all atoms: [10, 4, 37, 38, 21, 22, 13, 42, 24, 48]
  

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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