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

Submission ID: KPR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 114.1222
  Fragment main chain atoms: [3, 2, 5, 4, 1]
  Fragment all atoms: [3, 17, 11, 2, 16, 5, 7, 4, 18, 6, 1, 13, 14, 15]
  

• C₂H₂O₁
  Fragment probability: 0.50
  Fragment mass: 70.0467
  Fragment main chain atoms: [3, 2]
  Fragment all atoms: [3, 17, 11, 2, 16]
  

• C₃H₄N₁O₁
  Fragment probability: 0.43
  Fragment mass: 69.10480000000001
  Fragment main chain atoms: [1, 4, 5]
  Fragment all atoms: [1, 13, 14, 15, 4, 18, 6, 5, 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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