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

Submission ID: 432
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₆H₇N₁O₂
  Fragment probability: 0.42
  Fragment mass: 85.10419999999999
  Fragment main chain atoms: [4, 12, 6]
  Fragment all atoms: [4, 20, 21, 5, 22, 7, 8, 12, 6, 3, 18, 19, 2, 16, 17, 9]
  

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 104.08439999999999
  Fragment main chain atoms: [4, 5, 7]
  Fragment all atoms: [4, 20, 21, 12, 5, 22, 8, 7, 10, 11, 25]
  

• C₆H₈N₁O₄
  Fragment probability: 0.62
  Fragment mass: 130.1216
  Fragment main chain atoms: [6, 12, 4, 5, 7]
  Fragment all atoms: [6, 3, 18, 19, 2, 16, 17, 9, 12, 4, 20, 21, 5, 22, 8, 7, 10, 11, 25]
  

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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