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

Submission ID: CPO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.58
• Compound probability: 0.16

List of identified carbohydrate fragments:

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 85.12400000000001
  Fragment main chain atoms: [17, 11, 23]
  Fragment all atoms: [17, 91, 92, 42, 106, 11, 79, 80, 23]
  

• C₃H₅O₁
  Fragment probability: 0.58
  Fragment mass: 85.12400000000001
  Fragment main chain atoms: [18, 12, 24]
  Fragment all atoms: [18, 93, 94, 43, 107, 12, 81, 82, 24]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [1, 23]
  Fragment all atoms: [1, 55, 56, 57, 23]
  

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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