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

Submission ID: JTP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.27

List of identified carbohydrate fragments:

• C₅H₇N₁O₃
  Fragment probability: 0.59
  Fragment mass: 126.13290000000002
  Fragment main chain atoms: [26, 27, 28, 25]
  Fragment all atoms: [26, 31, 32, 63, 27, 1, 2, 34, 35, 36, 37, 38, 39, 28, 25, 30]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 87.09690000000002
  Fragment main chain atoms: [26, 27]
  Fragment all atoms: [26, 31, 32, 63, 27]
  

• C₂N₁O₁
  Fragment probability: 0.20
  Fragment mass: 126.1329
  Fragment main chain atoms: [25, 28, 27]
  Fragment all atoms: [25, 30, 28, 27]
  

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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