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

Submission ID: PHW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.10

List of identified carbohydrate fragments:

• C₂H₄O₁
  Fragment probability: 0.75
  Fragment mass: 57.071
  Fragment main chain atoms: [32, 54, 1]
  Fragment all atoms: [32, 96, 54, 1, 59, 60, 61]
  

• C₄H₅O₁
  Fragment probability: 0.44
  Fragment mass: 56.0631
  Fragment main chain atoms: [32, 18]
  Fragment all atoms: [32, 96, 54, 18, 79, 30, 92, 93, 40, 100]
  

• C₅H₈O₁
  Fragment probability: 0.50
  Fragment mass: 71.0975
  Fragment main chain atoms: [1, 54, 32, 18]
  Fragment all atoms: [1, 59, 60, 61, 54, 32, 96, 18, 79, 30, 92, 93, 40, 100]
  

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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