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

Submission ID: PVB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₅H₁₁N₁O₁
  Fragment probability: 0.50
  Fragment mass: 102.15440000000001
  Fragment main chain atoms: [8, 15, 10, 1]
  Fragment all atoms: [8, 46, 47, 28, 54, 15, 51, 24, 10, 49, 2, 34, 35, 36, 1, 31, 32, 33]
  

• C₃H₇N₁
  Fragment probability: 0.36
  Fragment mass: 57.0941
  Fragment main chain atoms: [3, 11, 4]
  Fragment all atoms: [3, 37, 38, 39, 11, 50, 27, 4, 40, 41, 42]
  

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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