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

Submission ID: E3M
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.81

List of identified carbohydrate fragments:

• C₉H₁₃N₂O₃
  Fragment probability: 1.00
  Fragment mass: 186.2078
  Fragment main chain atoms: [5, 2, 7, 20, 10, 8, 4, 37, 1, 12, 14]
  Fragment all atoms: [5, 29, 11, 2, 25, 26, 7, 31, 20, 10, 34, 9, 33, 6, 30, 16, 40, 8, 32, 4, 37, 1, 22, 23, 24, 12, 14]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [3, 6]
  Fragment all atoms: [3, 27, 28, 13, 38, 6, 30, 15, 39]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [3, 6, 9]
  Fragment all atoms: [3, 27, 28, 13, 38, 6, 30, 15, 39, 9, 33, 16, 40]
  

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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