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

Submission ID: P01
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₅H₁₁N₁O₁
  Fragment probability: 0.50
  Fragment mass: 102.15440000000001
  Fragment main chain atoms: [9, 15, 11, 1]
  Fragment all atoms: [9, 44, 45, 27, 52, 15, 49, 23, 11, 47, 2, 31, 32, 33, 1, 28, 29, 30]
  

• C₃H₇N₁
  Fragment probability: 0.36
  Fragment mass: 57.0941
  Fragment main chain atoms: [3, 12, 4]
  Fragment all atoms: [3, 34, 35, 36, 12, 48, 26, 4, 37, 38, 39]
  

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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