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

Submission ID: I51
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 87.0969
  Fragment main chain atoms: [3, 6, 4]
  Fragment all atoms: [3, 20, 21, 12, 26, 6, 2, 19, 7, 4, 22, 23, 13, 27]
  

• C₆H₇N₁O₂
  Fragment probability: 0.42
  Fragment mass: 114.1222
  Fragment main chain atoms: [3, 6, 2]
  Fragment all atoms: [3, 20, 21, 12, 26, 6, 4, 22, 23, 13, 27, 2, 19, 7, 5, 10]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 87.0969
  Fragment main chain atoms: [3, 6]
  Fragment all atoms: [3, 20, 21, 12, 26, 6]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 70.0896
  Fragment main chain atoms: [4, 6]
  Fragment all atoms: [4, 22, 23, 13, 27, 6]
  

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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