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

Submission ID: 3QB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₇H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 160.14750000000006
  Fragment main chain atoms: [14, 13, 15, 18, 26, 16, 23, 53, 60, 22, 52, 59, 54, 24, 61]
  Fragment all atoms: [14, 13, 15, 18, 56, 26, 16, 55, 12, 51, 9, 48, 19, 23, 53, 60, 22, 52, 59, 54, 24, 61]
  

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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