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

Submission ID: G21
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₉H₁₁N₃O₅
  Fragment probability: 1.00
  Fragment mass: 229.2094
  Fragment main chain atoms: [17, 15, 12, 16, 28, 18, 13, 56, 2, 24, 22]
  Fragment all atoms: [17, 52, 15, 50, 21, 12, 48, 49, 16, 51, 20, 26, 27, 57, 28, 18, 53, 19, 25, 23, 13, 56, 2, 32, 33, 34, 24, 22]
  

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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