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

Submission ID: 4TF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₇H₁₃O₁
  Fragment probability: 0.54
  Fragment mass: 71.0975
  Fragment main chain atoms: [3, 17, 5]
  Fragment all atoms: [3, 24, 25, 2, 22, 23, 1, 19, 20, 21, 17, 5, 28, 29, 6, 30, 4, 10, 26, 27, 34]
  

• C₃H₇O₁
  Fragment probability: 0.58
  Fragment mass: 59.0868
  Fragment main chain atoms: [3, 2, 1]
  Fragment all atoms: [3, 24, 25, 17, 2, 22, 23, 1, 19, 20, 21]
  

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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