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

Submission ID: C90
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₄H₆N₂O₂
  Fragment probability: 0.50
  Fragment mass: 101.1036
  Fragment main chain atoms: [1, 17, 22, 24]
  Fragment all atoms: [1, 33, 34, 35, 17, 54, 28, 58, 22, 55, 25, 24, 30, 26]
  

• C₅H₆N₂O₃
  Fragment probability: 0.50
  Fragment mass: 125.12499999999999
  Fragment main chain atoms: [1, 17, 22, 25, 23]
  Fragment all atoms: [1, 33, 34, 35, 17, 54, 28, 58, 22, 55, 24, 30, 26, 25, 23, 29]
  

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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