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

Submission ID: B64
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.55

List of identified carbohydrate fragments:

• C₃H₃O₂
  Fragment probability: 0.58
  Fragment mass: 99.0647
  Fragment main chain atoms: [12, 5, 4]
  Fragment all atoms: [12, 17, 18, 33, 5, 29, 4, 28]
  

• C₄H₃O₂
  Fragment probability: 0.44
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [12, 5]
  Fragment all atoms: [12, 17, 18, 33, 5, 29, 4, 28, 11]
  

• C₄H₃N₁O₃
  Fragment probability: 0.50
  Fragment mass: 99.0647
  Fragment main chain atoms: [12, 5, 4, 11]
  Fragment all atoms: [12, 17, 18, 33, 5, 29, 4, 28, 11, 16, 15]
  

• C₂H₃O₂
  Fragment probability: 0.97
  Fragment mass: 55.0552
  Fragment main chain atoms: [14, 20, 1]
  Fragment all atoms: [14, 19, 20, 1, 23, 24, 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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