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

Submission ID: GDT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₅H₆N₂O₃
  Fragment probability: 0.50
  Fragment mass: 126.13289999999999
  Fragment main chain atoms: [3, 20, 25, 31, 24]
  Fragment all atoms: [3, 44, 45, 46, 20, 72, 32, 80, 25, 75, 27, 37, 30, 31, 24, 35]
  

• C₄H₆
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [10, 11]
  Fragment all atoms: [10, 59, 9, 57, 58, 8, 55, 56, 11, 60]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 52.0744
  Fragment main chain atoms: [11, 12]
  Fragment all atoms: [11, 60, 10, 59, 9, 57, 58, 12, 61]
  

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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