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

Submission ID: UM1
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₆H₉N₂O₃
  Fragment probability: 0.54
  Fragment mass: 159.1627
  Fragment main chain atoms: [8, 5, 11, 7, 4, 1]
  Fragment all atoms: [8, 14, 15, 30, 5, 25, 2, 19, 20, 21, 11, 7, 13, 4, 24, 10, 1, 16, 17, 18]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 88.08500000000001
  Fragment main chain atoms: [8, 5, 2]
  Fragment all atoms: [8, 14, 15, 30, 5, 25, 11, 2, 19, 20, 21]
  

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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