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

Submission ID: 47C
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [6, 8, 9, 23, 11]
  Fragment all atoms: [6, 32, 33, 8, 36, 16, 40, 9, 37, 7, 34, 35, 22, 23, 11, 38, 15]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 72.0856
  Fragment main chain atoms: [5, 2, 1]
  Fragment all atoms: [5, 30, 31, 21, 2, 27, 1, 25, 26]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 72.0856
  Fragment main chain atoms: [5, 2]
  Fragment all atoms: [5, 30, 31, 21, 2, 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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