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

Submission ID: CDG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.94

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [5, 6, 8, 17, 4, 7, 11, 28, 32, 12, 29, 33]
  Fragment all atoms: [5, 6, 8, 31, 15, 17, 4, 27, 3, 25, 26, 16, 7, 30, 18, 11, 28, 32, 12, 29, 33]
  

• C₈H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 190.15030000000002
  Fragment main chain atoms: [16, 3, 4, 7, 18, 10]
  Fragment all atoms: [16, 3, 25, 26, 4, 27, 17, 7, 30, 5, 28, 6, 29, 11, 32, 18, 10, 1, 9, 19, 20, 21, 13, 14, 34]
  

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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