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

Submission ID: 7GR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.43
• Compound probability: 0.75

List of identified carbohydrate fragments:

• C₁₂H₁₃N₃O₅
  Fragment probability: 0.43
  Fragment mass: 307.1966
  Fragment main chain atoms: [10, 27, 17, 18, 11, 28, 19, 9, 15, 20, 14, 16]
  Fragment all atoms: [10, 44, 45, 13, 7, 6, 39, 38, 27, 17, 24, 18, 11, 46, 47, 28, 19, 9, 42, 43, 15, 21, 20, 14, 49, 8, 40, 41, 12, 48, 16, 22, 23, 53]
  

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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