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

Submission ID: B5Y
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [31, 17, 14, 13, 11]
  Fragment all atoms: [31, 17, 47, 23, 14, 46, 26, 52, 13, 45, 25, 51, 11, 44, 5, 40, 41, 30]
  

• C₂H₂O₃
  Fragment probability: 0.80
  Fragment mass: 163.04519999999997
  Fragment main chain atoms: [5, 30, 33, 32, 18]
  Fragment all atoms: [5, 40, 41, 30, 33, 32, 18, 27]
  

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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