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

Submission ID: DYA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.95
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₄H₃N₁O₄
  Fragment probability: 0.83
  Fragment mass: 131.0866
  Fragment main chain atoms: [3, 1, 2, 4]
  Fragment all atoms: [3, 6, 7, 13, 1, 10, 2, 5, 4, 8, 9, 14]
  

• C₂H₂O₂
  Fragment probability: 0.95
  Fragment mass: 86.0692
  Fragment main chain atoms: [3, 1]
  Fragment all atoms: [3, 6, 7, 13, 1, 10]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [4, 2]
  Fragment all atoms: [4, 8, 9, 14, 2]
  

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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