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

Submission ID: IBD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₄H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 115.1532
  Fragment main chain atoms: [8, 7, 28, 5, 2]
  Fragment all atoms: [8, 49, 50, 30, 7, 47, 48, 28, 5, 43, 44, 2, 35, 36, 37]
  

• C₄H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 115.1532
  Fragment main chain atoms: [8, 7, 28, 6, 3]
  Fragment all atoms: [8, 49, 50, 30, 7, 47, 48, 28, 6, 45, 46, 3, 38, 39, 40]
  

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 68.0969
  Fragment main chain atoms: [1, 4, 25, 19]
  Fragment all atoms: [1, 32, 33, 34, 4, 41, 42, 25, 19, 29]
  

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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