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

Submission ID: 26T
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.95
• Compound probability: 0.69

List of identified carbohydrate fragments:

• C₅H₇O₄
  Fragment probability: 0.75
  Fragment mass: 131.10639999999998
  Fragment main chain atoms: [2, 4, 5, 3, 1]
  Fragment all atoms: [2, 17, 18, 12, 4, 7, 5, 19, 8, 20, 3, 6, 1, 14, 15, 16]
  

• C₂H₂O₂
  Fragment probability: 0.95
  Fragment mass: 72.0625
  Fragment main chain atoms: [2, 4]
  Fragment all atoms: [2, 17, 18, 12, 4, 7]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 57.071
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 14, 15, 16, 3, 6]
  

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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