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

Submission ID: AI8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₅H₃N₂O₂
  Fragment probability: 0.29
  Fragment mass: 165.1293
  Fragment main chain atoms: [8, 12, 24, 18, 16]
  Fragment all atoms: [8, 52, 31, 12, 56, 19, 57, 26, 24, 18, 32, 16]
  

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 123.1125
  Fragment main chain atoms: [8, 12, 24, 18]
  Fragment all atoms: [8, 52, 31, 12, 56, 19, 57, 26, 24, 18, 32]
  

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 123.11249999999998
  Fragment main chain atoms: [3, 35, 28, 16]
  Fragment all atoms: [3, 46, 47, 1, 40, 41, 42, 35, 28, 16]
  

• C₂N₁O₁
  Fragment probability: 0.20
  Fragment mass: 80.0449
  Fragment main chain atoms: [16, 18]
  Fragment all atoms: [16, 18, 32, 24]
  

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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