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

Submission ID: 5FX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.90

List of identified carbohydrate fragments:

• C₅H₉O₄
  Fragment probability: 0.85
  Fragment mass: 116.1149
  Fragment main chain atoms: [2, 4, 5, 3]
  Fragment all atoms: [2, 13, 14, 7, 17, 4, 9, 5, 16, 10, 19, 3, 15, 1, 11, 12, 8, 18]
  

• C₃H₅O₃
  Fragment probability: 0.98
  Fragment mass: 102.08840000000001
  Fragment main chain atoms: [2, 4, 5]
  Fragment all atoms: [2, 13, 14, 7, 17, 4, 9, 5, 16, 10, 19]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [3, 5]
  Fragment all atoms: [3, 15, 1, 11, 12, 8, 18, 5, 16, 4, 2, 13, 14, 9, 10, 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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