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

Submission ID: F3M
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₄H₆O₂
  Fragment probability: 0.62
  Fragment mass: 57.071
  Fragment main chain atoms: [4, 13, 1]
  Fragment all atoms: [4, 2, 17, 18, 3, 19, 12, 13, 1, 14, 15, 16]
  

• C₅H₅N₁O₃
  Fragment probability: 0.50
  Fragment mass: 129.1137
  Fragment main chain atoms: [4, 2, 3, 5, 6]
  Fragment all atoms: [4, 12, 13, 2, 17, 18, 3, 19, 11, 23, 5, 20, 10, 6]
  

• C₆H₈N₁O₃
  Fragment probability: 0.54
  Fragment mass: 144.1481
  Fragment main chain atoms: [1, 13, 4, 2, 3, 5, 6]
  Fragment all atoms: [1, 14, 15, 16, 13, 4, 12, 2, 17, 18, 3, 19, 11, 23, 5, 20, 10, 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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