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

Submission ID: 0A0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 0.68
  Fragment mass: 131.1064
  Fragment main chain atoms: [3, 2, 5, 4]
  Fragment all atoms: [3, 7, 8, 18, 2, 14, 15, 5, 1, 11, 12, 13, 6, 4, 9, 10, 19]
  

• C₃H₃O₂
  Fragment probability: 0.58
  Fragment mass: 131.1064
  Fragment main chain atoms: [3, 2, 5]
  Fragment all atoms: [3, 7, 8, 18, 2, 14, 15, 5]
  

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [4, 5, 1]
  Fragment all atoms: [4, 9, 10, 19, 5, 2, 14, 15, 3, 6, 1, 11, 12, 13]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [4, 5]
  Fragment all atoms: [4, 9, 10, 19, 5]
  

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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