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

Submission ID: 1W8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.21

List of identified carbohydrate fragments:

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 111.09849999999999
  Fragment main chain atoms: [3, 35, 27, 13]
  Fragment all atoms: [3, 46, 47, 1, 40, 41, 42, 35, 27, 13]
  

• C₂N₁O₁
  Fragment probability: 0.20
  Fragment mass: 80.0449
  Fragment main chain atoms: [13, 17]
  Fragment all atoms: [13, 17, 31, 25]
  

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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