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

Submission ID: 9OH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [13, 15, 19]
  Fragment all atoms: [13, 48, 14, 49, 17, 52, 15, 50, 10, 42, 43, 8, 38, 39, 19, 53]
  

• C₆H₇O₁
  Fragment probability: 0.38
  Fragment mass: 113.09119999999999
  Fragment main chain atoms: [14, 17, 22]
  Fragment all atoms: [14, 49, 13, 48, 15, 50, 17, 52, 16, 51, 11, 44, 45, 22]
  

• C₆H₈O₂
  Fragment probability: 0.50
  Fragment mass: 85.0811
  Fragment main chain atoms: [13, 14]
  Fragment all atoms: [13, 48, 15, 50, 10, 42, 43, 19, 53, 14, 49, 17, 52, 16, 51, 22]
  

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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