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

Submission ID: MA0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.40
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₄H₇N₁
  Fragment probability: 0.39
  Fragment mass: 96.13010000000001
  Fragment main chain atoms: [2, 14, 8, 3]
  Fragment all atoms: [2, 18, 19, 20, 14, 8, 28, 3, 21, 1, 16, 17]
  

• C₂H₄N₁
  Fragment probability: 0.40
  Fragment mass: 82.10360000000001
  Fragment main chain atoms: [2, 14, 8]
  Fragment all atoms: [2, 18, 19, 20, 14, 8, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.0704
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 16, 17, 3, 21]
  

• C₃H₄N₁
  Fragment probability: 0.29
  Fragment mass: 54.0704
  Fragment main chain atoms: [1, 3, 8]
  Fragment all atoms: [1, 16, 17, 3, 21, 8, 28, 14]
  

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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