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

Submission ID: 62N
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.56

List of identified carbohydrate fragments:

• C₇H₁₂N₂O₆
  Fragment probability: 1.00
  Fragment mass: 249.19750000000008
  Fragment main chain atoms: [11, 10, 9, 8, 27, 13, 14, 40, 26, 19, 20, 24, 37, 44, 23, 36, 43, 22, 35, 42]
  Fragment all atoms: [11, 10, 9, 8, 34, 5, 32, 33, 21, 41, 27, 13, 38, 14, 40, 26, 19, 20, 24, 37, 44, 23, 36, 43, 22, 35, 42]
  

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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