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

Submission ID: ZEA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₅H₉O₁
  Fragment probability: 0.55
  Fragment mass: 71.09750000000001
  Fragment main chain atoms: [4, 7, 1]
  Fragment all atoms: [4, 23, 24, 16, 29, 7, 2, 20, 3, 21, 22, 1, 17, 18, 19]
  

• C₅H₉N₁O₁
  Fragment probability: 0.50
  Fragment mass: 100.1386
  Fragment main chain atoms: [4, 7, 2]
  Fragment all atoms: [4, 23, 24, 16, 29, 7, 1, 17, 18, 19, 2, 20, 3, 21, 22, 11]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 71.0975
  Fragment main chain atoms: [4, 7]
  Fragment all atoms: [4, 23, 24, 16, 29, 7]
  

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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