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

Submission ID: X8M
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₆H₆O₃
  Fragment probability: 0.50
  Fragment mass: 100.0726
  Fragment main chain atoms: [13, 19, 20]
  Fragment all atoms: [13, 47, 48, 22, 54, 19, 53, 15, 7, 8, 37, 38, 20, 23, 24]
  

• C₃H₇N₁
  Fragment probability: 0.36
  Fragment mass: 57.0941
  Fragment main chain atoms: [1, 14, 2]
  Fragment all atoms: [1, 25, 26, 27, 14, 49, 21, 2, 28, 29, 30]
  

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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