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

Submission ID: ZSW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₅H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 81.1155
  Fragment main chain atoms: [3, 18, 29, 27]
  Fragment all atoms: [3, 43, 44, 45, 18, 67, 5, 47, 48, 2, 40, 41, 42, 29, 27, 33]
  

• C₃H₅N₁
  Fragment probability: 0.36
  Fragment mass: 56.0862
  Fragment main chain atoms: [1, 4]
  Fragment all atoms: [1, 38, 39, 4, 46, 14, 59, 60, 30]
  

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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