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

Submission ID: E15
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.42
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₁₁H₁₅N₃O₃
  Fragment probability: 0.42
  Fragment mass: 213.25290000000004
  Fragment main chain atoms: [4, 34, 28, 31, 38, 25, 27, 33]
  Fragment all atoms: [4, 56, 57, 58, 34, 5, 6, 59, 60, 61, 62, 63, 64, 28, 90, 39, 31, 43, 38, 25, 87, 19, 81, 82, 23, 27, 89, 41, 97, 33, 45, 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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