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

Submission ID: FEV
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₅H₇N₁O₂
  Fragment probability: 0.50
  Fragment mass: 98.07990000000001
  Fragment main chain atoms: [13, 11, 4]
  Fragment all atoms: [13, 17, 18, 38, 11, 15, 4, 32, 3, 30, 31, 1, 24, 25, 26]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [13, 11]
  Fragment all atoms: [13, 17, 18, 38, 11]
  

• C₆H₈N₁O₂
  Fragment probability: 0.46
  Fragment mass: 123.1092
  Fragment main chain atoms: [4, 11, 15, 6]
  Fragment all atoms: [4, 32, 3, 30, 31, 1, 24, 25, 26, 11, 13, 17, 18, 38, 15, 6, 34]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 84.0732
  Fragment main chain atoms: [4, 11]
  Fragment all atoms: [4, 32, 3, 30, 31, 1, 24, 25, 26, 11]
  

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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