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

Submission ID: 8M7
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.66

List of identified carbohydrate fragments:

• C₁₂H₂₁N₂O₅
  Fragment probability: 1.00
  Fragment mass: 243.23590000000007
  Fragment main chain atoms: [16, 15, 13, 28, 18, 14, 17, 53, 11, 21, 26, 25, 51, 56, 24, 50, 55]
  Fragment all atoms: [16, 15, 13, 48, 10, 45, 46, 23, 54, 28, 18, 22, 14, 49, 17, 53, 11, 47, 3, 4, 36, 37, 1, 30, 31, 32, 38, 39, 2, 33, 34, 35, 21, 26, 25, 51, 56, 24, 50, 55]
  

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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