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

Submission ID: 1J9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.81
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 104.1042
  Fragment main chain atoms: [7, 8, 32, 11]
  Fragment all atoms: [7, 40, 41, 30, 51, 8, 42, 43, 32, 11, 46, 47]
  

• C₅H₈N₁O₄
  Fragment probability: 0.73
  Fragment mass: 132.11430000000001
  Fragment main chain atoms: [7, 8, 32, 11, 17, 20]
  Fragment all atoms: [7, 40, 41, 30, 51, 8, 42, 43, 32, 11, 46, 47, 17, 49, 33, 20, 31, 28]
  

• C₃H₃N₁O₃
  Fragment probability: 0.81
  Fragment mass: 87.05399999999999
  Fragment main chain atoms: [11, 17, 20]
  Fragment all atoms: [11, 46, 47, 32, 17, 49, 33, 20, 31, 28]
  

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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