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

Submission ID: 3O3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.68
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 0.68
  Fragment mass: 146.121
  Fragment main chain atoms: [7, 2, 1, 6, 9]
  Fragment all atoms: [7, 12, 13, 31, 2, 20, 21, 1, 18, 19, 6, 27, 11, 9, 16, 17, 33]
  

• C₈H₁₂N₂O₄
  Fragment probability: 0.56
  Fragment mass: 189.1886
  Fragment main chain atoms: [8, 5, 3, 4, 11, 6, 9]
  Fragment all atoms: [8, 15, 14, 32, 5, 26, 10, 3, 22, 23, 4, 24, 25, 11, 6, 27, 1, 18, 19, 2, 20, 21, 9, 16, 17, 33]
  

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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