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

Submission ID: KIK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.57
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₇N₁O₂
  Fragment probability: 0.50
  Fragment mass: 115.1301
  Fragment main chain atoms: [3, 4, 5, 2, 1]
  Fragment all atoms: [3, 12, 13, 7, 17, 4, 14, 6, 5, 8, 2, 11, 1, 9, 10]
  

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 85.1042
  Fragment main chain atoms: [3, 4, 5]
  Fragment all atoms: [3, 12, 13, 7, 17, 4, 14, 6, 5, 8]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.0552
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 9, 10, 2, 11]
  

• C₅H₆N₁O₁
  Fragment probability: 0.36
  Fragment mass: 68.09689999999999
  Fragment main chain atoms: [1, 2, 5]
  Fragment all atoms: [1, 9, 10, 2, 11, 5, 4, 14, 3, 12, 13, 6, 8]
  

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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