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

Submission ID: IXS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.34
• Compound probability: 0.46

List of identified carbohydrate fragments:

• C₆H₆N₁O₁
  Fragment probability: 0.31
  Fragment mass: 79.0997
  Fragment main chain atoms: [3, 23, 38, 33]
  Fragment all atoms: [3, 53, 54, 55, 23, 84, 26, 12, 13, 70, 71, 38, 33, 42]
  

• C₈H₉N₃O₂
  Fragment probability: 0.34
  Fragment mass: 151.18529999999998
  Fragment main chain atoms: [4, 24, 36, 21, 30, 39, 34]
  Fragment all atoms: [4, 56, 57, 58, 24, 85, 32, 41, 37, 36, 21, 81, 82, 30, 86, 16, 74, 75, 25, 39, 34, 43]
  

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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