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

Submission ID: 9X7
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.95
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [3, 8, 5]
  Fragment all atoms: [3, 15, 16, 1, 9, 10, 11, 8, 5, 7]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 116.11489999999999
  Fragment main chain atoms: [3, 8, 5, 4, 2]
  Fragment all atoms: [3, 15, 16, 1, 9, 10, 11, 8, 5, 7, 4, 6, 2, 12, 13, 14]
  

• C₃H₃O₃
  Fragment probability: 0.95
  Fragment mass: 87.054
  Fragment main chain atoms: [5, 4, 2]
  Fragment all atoms: [5, 7, 8, 4, 6, 2, 12, 13, 14]
  

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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