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

Submission ID: NEI
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₅H₆N₂O₄
  Fragment probability: 1.00
  Fragment mass: 144.1052
  Fragment main chain atoms: [5, 6, 11, 23, 7]
  Fragment all atoms: [5, 30, 20, 37, 6, 31, 21, 38, 11, 33, 19, 23, 7, 32, 10, 22, 15]
  

• C₃H₅N₁O₁
  Fragment probability: 0.50
  Fragment mass: 85.1042
  Fragment main chain atoms: [1, 2, 15, 10]
  Fragment all atoms: [1, 24, 25, 26, 2, 27, 28, 15, 10, 22]
  

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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