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

Submission ID: 3P3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₄H₆N₂O₂
  Fragment probability: 0.50
  Fragment mass: 101.1036
  Fragment main chain atoms: [1, 15, 19, 21]
  Fragment all atoms: [1, 28, 29, 30, 15, 40, 24, 44, 19, 41, 22, 21, 26, 23]
  

• C₅H₆N₂O₃
  Fragment probability: 0.50
  Fragment mass: 125.12499999999999
  Fragment main chain atoms: [1, 15, 19, 22, 20]
  Fragment all atoms: [1, 28, 29, 30, 15, 40, 24, 44, 19, 41, 21, 26, 23, 22, 20, 25]
  

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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