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

Submission ID: KRI
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₅H₉O₄
  Fragment probability: 0.85
  Fragment mass: 116.1149
  Fragment main chain atoms: [3, 6, 8, 7]
  Fragment all atoms: [3, 22, 23, 11, 31, 6, 12, 8, 28, 14, 33, 7, 27, 4, 24, 25, 13, 32]
  

• C₃H₅O₃
  Fragment probability: 0.98
  Fragment mass: 102.08840000000001
  Fragment main chain atoms: [3, 6, 8]
  Fragment all atoms: [3, 22, 23, 11, 31, 6, 12, 8, 28, 14, 33]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 68.07379999999999
  Fragment main chain atoms: [7, 8]
  Fragment all atoms: [7, 27, 4, 24, 25, 13, 32, 8, 28, 6, 3, 22, 23, 12, 14, 33]
  

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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