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

Submission ID: REX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.64
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₆H₉N₂O₃
  Fragment probability: 0.54
  Fragment mass: 159.1627
  Fragment main chain atoms: [14, 9, 18, 13, 8, 1]
  Fragment all atoms: [14, 23, 24, 52, 9, 44, 2, 30, 31, 32, 18, 13, 22, 8, 43, 17, 1, 27, 28, 29]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 88.08500000000001
  Fragment main chain atoms: [14, 9, 2]
  Fragment all atoms: [14, 23, 24, 52, 9, 44, 18, 2, 30, 31, 32]
  

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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