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

Submission ID: 84D
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [14, 16, 9, 3, 8, 15]
  Fragment all atoms: [14, 50, 27, 68, 16, 52, 31, 9, 45, 22, 3, 36, 37, 8, 44, 21, 15, 51, 30]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [13, 11, 12, 10, 29, 18, 49, 26, 67, 25, 48, 66]
  Fragment all atoms: [13, 11, 47, 23, 12, 10, 46, 5, 40, 41, 24, 65, 29, 18, 54, 31, 49, 26, 67, 25, 48, 66]
  

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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