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

Submission ID: 3RB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.39

List of identified carbohydrate fragments:

• C₅H₆O₂
  Fragment probability: 0.50
  Fragment mass: 70.0467
  Fragment main chain atoms: [21, 15]
  Fragment all atoms: [21, 22, 23, 47, 15, 46, 17, 9, 2, 38, 27, 28, 29]
  

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 98.09970000000001
  Fragment main chain atoms: [21, 15, 17]
  Fragment all atoms: [21, 22, 23, 47, 15, 46, 17]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 53.0823
  Fragment main chain atoms: [1, 16]
  Fragment all atoms: [1, 24, 25, 26, 16]
  

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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