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

Submission ID: 573
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.76
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 90.1008
  Fragment main chain atoms: [7, 8, 1]
  Fragment all atoms: [7, 36, 37, 26, 8, 38, 24, 41, 1, 28, 29, 30]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 115.0872
  Fragment main chain atoms: [7, 26, 23, 17]
  Fragment all atoms: [7, 36, 37, 26, 23, 17, 25]
  

• C₄H₇N₁O₃
  Fragment probability: 0.72
  Fragment mass: 130.1216
  Fragment main chain atoms: [1, 8, 7, 26, 23, 17]
  Fragment all atoms: [1, 28, 29, 30, 8, 38, 24, 41, 7, 36, 37, 26, 23, 17, 25]
  

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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