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

Submission ID: 0YJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₄H₇N₁O₁
  Fragment probability: 0.50
  Fragment mass: 97.13799999999999
  Fragment main chain atoms: [1, 16, 28, 25]
  Fragment all atoms: [1, 36, 37, 38, 16, 63, 2, 39, 40, 41, 28, 25, 34]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 83.13129999999998
  Fragment main chain atoms: [4, 27]
  Fragment all atoms: [4, 45, 46, 47, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 83.13129999999998
  Fragment main chain atoms: [5, 27]
  Fragment all atoms: [5, 48, 49, 50, 27]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 83.13129999999998
  Fragment main chain atoms: [6, 27]
  Fragment all atoms: [6, 51, 52, 53, 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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