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

Submission ID: KAB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.40
• Compound probability: 0.10

List of identified carbohydrate fragments:

• C₆H₁₀N₁
  Fragment probability: 0.38
  Fragment mass: 99.13070000000002
  Fragment main chain atoms: [7, 53, 18, 17]
  Fragment all atoms: [7, 86, 87, 88, 53, 18, 110, 17, 109, 29, 126, 3, 44, 74, 75, 76, 135]
  

• C₂H₄N₁
  Fragment probability: 0.40
  Fragment mass: 86.11210000000001
  Fragment main chain atoms: [7, 53, 18]
  Fragment all atoms: [7, 86, 87, 88, 53, 18, 110]
  

• C₅H₇N₁
  Fragment probability: 0.32
  Fragment mass: 53.0625
  Fragment main chain atoms: [17, 18]
  Fragment all atoms: [17, 109, 29, 126, 3, 44, 74, 75, 76, 135, 18, 110, 53]
  

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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