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

Submission ID: BGB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.80

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000002
  Fragment main chain atoms: [23, 22, 17, 14, 39, 26, 31, 71, 85]
  Fragment all atoms: [23, 77, 41, 22, 76, 40, 17, 14, 68, 11, 64, 65, 28, 82, 39, 26, 80, 36, 31, 71, 85]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [21, 19, 16, 13, 38, 25, 35, 75, 89, 33, 73, 87, 30, 70, 84]
  Fragment all atoms: [21, 19, 16, 13, 67, 10, 62, 63, 27, 81, 38, 25, 79, 40, 35, 75, 89, 33, 73, 87, 30, 70, 84]
  

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [20, 18, 15, 12, 37, 24, 34, 74, 88, 32, 72, 86, 29, 69, 83]
  Fragment all atoms: [20, 18, 15, 12, 66, 2, 45, 46, 47, 37, 24, 78, 41, 34, 74, 88, 32, 72, 86, 29, 69, 83]
  

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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