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

Submission ID: FVX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.68

List of identified carbohydrate fragments:

• C₁₀H₁₄N₂O₂
  Fragment probability: 0.41
  Fragment mass: 170.2084
  Fragment main chain atoms: [10, 3, 2, 4, 14, 20, 22, 11]
  Fragment all atoms: [10, 38, 39, 21, 3, 28, 29, 2, 26, 27, 4, 30, 31, 14, 12, 5, 6, 32, 33, 20, 22, 11, 40, 41, 9, 36, 37, 19]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 59.0868
  Fragment main chain atoms: [10, 21, 1]
  Fragment all atoms: [10, 38, 39, 3, 28, 29, 2, 26, 27, 21, 1, 23, 24, 25]
  

• C₃H₄N₂O₁
  Fragment probability: 0.38
  Fragment mass: 112.1295
  Fragment main chain atoms: [11, 22, 20, 14]
  Fragment all atoms: [11, 40, 41, 9, 36, 37, 19, 22, 20, 14]
  

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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