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

Submission ID: F85
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₇H₁₂N₂O₆
  Fragment probability: 1.00
  Fragment mass: 249.19750000000008
  Fragment main chain atoms: [14, 13, 12, 11, 27, 16, 17, 49, 26, 19, 20, 24, 46, 53, 23, 45, 52, 22, 44, 51]
  Fragment all atoms: [14, 13, 12, 11, 43, 8, 41, 42, 21, 50, 27, 16, 47, 17, 49, 26, 19, 20, 24, 46, 53, 23, 45, 52, 22, 44, 51]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [1, 18]
  Fragment all atoms: [1, 28, 29, 30, 18]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [2, 18]
  Fragment all atoms: [2, 31, 32, 33, 18]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.1246
  Fragment main chain atoms: [3, 18]
  Fragment all atoms: [3, 34, 35, 36, 18]
  

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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