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

Submission ID: 42Y
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.83
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₈N₁O₂
  Fragment probability: 0.46
  Fragment mass: 85.10419999999999
  Fragment main chain atoms: [3, 11, 5]
  Fragment all atoms: [3, 17, 18, 4, 19, 6, 7, 11, 5, 2, 15, 16, 1, 12, 13, 14, 8]
  

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 104.08439999999999
  Fragment main chain atoms: [3, 4, 6]
  Fragment all atoms: [3, 17, 18, 11, 4, 19, 7, 6, 9, 10, 22]
  

• C₆H₉N₁O₄
  Fragment probability: 0.65
  Fragment mass: 130.1216
  Fragment main chain atoms: [5, 11, 3, 4, 6]
  Fragment all atoms: [5, 2, 15, 16, 1, 12, 13, 14, 8, 11, 3, 17, 18, 4, 19, 7, 6, 9, 10, 22]
  

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 73.0704
  Fragment main chain atoms: [5, 2, 1]
  Fragment all atoms: [5, 8, 11, 2, 15, 16, 1, 12, 13, 14]
  

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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