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

Submission ID: AQ9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [25, 23, 21, 17, 43, 27, 85, 40, 95, 38, 83, 93, 36, 81, 91]
  Fragment all atoms: [25, 23, 21, 17, 77, 13, 72, 73, 34, 89, 43, 27, 87, 45, 85, 40, 95, 38, 83, 93, 36, 81, 91]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [24, 22, 20, 16, 42, 26, 84, 39, 94, 37, 82, 92, 35, 80, 90]
  Fragment all atoms: [24, 22, 20, 16, 76, 12, 70, 71, 33, 88, 42, 26, 86, 44, 84, 39, 94, 37, 82, 92, 35, 80, 90]
  

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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