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

Submission ID: A8E
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.44
• Compound probability: 0.89

List of identified carbohydrate fragments:

• C₄H₄N₁O₂
  Fragment probability: 0.44
  Fragment mass: 114.12219999999999
  Fragment main chain atoms: [5, 4, 2, 3]
  Fragment all atoms: [5, 8, 9, 17, 4, 14, 7, 2, 12, 13, 3]
  

• C₂H₂
  Fragment probability: 0.25
  Fragment mass: 40.0637
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 10, 11, 3]
  

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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