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

Submission ID: 6B7
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.65
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₆H₈N₁O₂
  Fragment probability: 0.46
  Fragment mass: 113.11430000000001
  Fragment main chain atoms: [6, 10, 9, 3]
  Fragment all atoms: [6, 37, 17, 10, 42, 12, 8, 40, 16, 9, 41, 18, 45, 3, 30, 31, 32]
  

• C₅H₉O₂
  Fragment probability: 0.65
  Fragment mass: 70.0896
  Fragment main chain atoms: [5, 22, 11]
  Fragment all atoms: [5, 35, 36, 4, 33, 34, 1, 24, 25, 26, 22, 11, 7, 38, 39, 19]
  

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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