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

Submission ID: 3C0
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.78

List of identified carbohydrate fragments:

• C₇H₉N₁O₂
  Fragment probability: 1.00
  Fragment mass: 199.2264
  Fragment main chain atoms: [14, 8, 12, 9, 15, 19]
  Fragment all atoms: [14, 43, 16, 45, 17, 46, 23, 8, 35, 36, 12, 41, 22, 9, 37, 38, 15, 44, 19]
  

• C₆H₆O₃
  Fragment probability: 0.50
  Fragment mass: 100.0726
  Fragment main chain atoms: [10, 13, 18]
  Fragment all atoms: [10, 39, 40, 20, 47, 13, 42, 11, 6, 7, 33, 34, 18, 21, 22]
  

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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