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

Submission ID: TYO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.93

List of identified carbohydrate fragments:

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 55.0552
  Fragment main chain atoms: [4, 3]
  Fragment all atoms: [4, 19, 11, 26, 3, 18]
  

• C₂H₂O₁
  Fragment probability: 0.50
  Fragment mass: 55.0552
  Fragment main chain atoms: [5, 1]
  Fragment all atoms: [5, 20, 15, 1, 16]
  

• C₃H₃O₁
  Fragment probability: 0.42
  Fragment mass: 67.0659
  Fragment main chain atoms: [5, 1, 2]
  Fragment all atoms: [5, 20, 15, 1, 16, 2, 17]
  

• C₄H₄N₁O₂
  Fragment probability: 0.44
  Fragment mass: 126.1329
  Fragment main chain atoms: [9, 8, 6, 7]
  Fragment all atoms: [9, 12, 13, 27, 8, 23, 10, 6, 21, 22, 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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