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

Submission ID: E14
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.42
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₁₁H₁₅N₃O₃
  Fragment probability: 0.42
  Fragment mass: 213.25290000000004
  Fragment main chain atoms: [3, 33, 27, 30, 37, 24, 26, 32]
  Fragment all atoms: [3, 52, 53, 54, 33, 4, 5, 55, 56, 57, 58, 59, 60, 27, 87, 38, 30, 42, 37, 24, 84, 18, 77, 78, 22, 26, 86, 40, 94, 32, 44, 39]
  

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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