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

Submission ID: 14A
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₃H₆O₂
  Fragment probability: 0.83
  Fragment mass: 89.0929
  Fragment main chain atoms: [9, 5, 10]
  Fragment all atoms: [9, 43, 44, 26, 5, 35, 36, 10, 45, 46, 27]
  

• C₃H₅N₁
  Fragment probability: 0.36
  Fragment mass: 55.0783
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 28, 29, 2, 30, 8, 41, 42, 24]
  

• C₃H₃N₁O₁
  Fragment probability: 0.36
  Fragment mass: 106.125
  Fragment main chain atoms: [2, 8, 24, 18]
  Fragment all atoms: [2, 30, 8, 41, 42, 24, 18, 25]
  

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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