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

Submission ID: 0Z9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.76

List of identified carbohydrate fragments:

• C₁₂H₁₂N₃O₄
  Fragment probability: 0.37
  Fragment mass: 211.1942
  Fragment main chain atoms: [10, 25, 17, 19, 14, 16, 18, 12, 15]
  Fragment all atoms: [10, 42, 43, 13, 7, 8, 38, 39, 25, 17, 23, 19, 14, 46, 9, 40, 41, 11, 44, 16, 22, 18, 12, 45, 3, 32, 33, 34, 15, 21, 20]
  

• C₃H₄N₂O₁
  Fragment probability: 0.38
  Fragment mass: 71.0777
  Fragment main chain atoms: [3, 12, 15]
  Fragment all atoms: [3, 32, 33, 34, 12, 45, 18, 15, 21, 20]
  

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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