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

Submission ID: KDD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 173.143
  Fragment main chain atoms: [6, 14, 7, 2, 4, 1, 10, 20, 24]
  Fragment all atoms: [6, 22, 5, 21, 3, 18, 19, 11, 25, 14, 7, 8, 13, 12, 26, 2, 17, 4, 1, 15, 16, 10, 20, 24]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 73.07039999999999
  Fragment main chain atoms: [3, 5]
  Fragment all atoms: [3, 18, 19, 9, 23, 5, 21, 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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