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

Submission ID: JB9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [26, 28, 24, 21, 47, 30, 44, 80, 94, 78, 42, 92]
  Fragment all atoms: [26, 28, 82, 46, 24, 21, 75, 14, 69, 70, 39, 90, 47, 30, 84, 49, 44, 80, 94, 78, 42, 92]
  

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [23, 25, 27, 22, 48, 29, 17, 89, 2, 41, 35, 79, 43, 93]
  Fragment all atoms: [23, 77, 25, 27, 81, 49, 22, 76, 15, 71, 72, 40, 91, 48, 29, 83, 45, 17, 89, 2, 52, 53, 54, 41, 35, 79, 43, 93]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 57.071
  Fragment main chain atoms: [10, 3, 1]
  Fragment all atoms: [10, 63, 64, 45, 3, 55, 1, 50, 51]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 57.071
  Fragment main chain atoms: [10, 3]
  Fragment all atoms: [10, 63, 64, 45, 3, 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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