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

Submission ID: C1E
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₃H₂O₃
  Fragment probability: 0.93
  Fragment mass: 99.06470000000002
  Fragment main chain atoms: [12, 11, 9]
  Fragment all atoms: [12, 16, 17, 26, 11, 15, 25, 9]
  

• C₃H₂O₁
  Fragment probability: 0.33
  Fragment mass: 62.0693
  Fragment main chain atoms: [6, 7, 10]
  Fragment all atoms: [6, 23, 7, 24, 10, 14]
  

• C₄H₂O₁
  Fragment probability: 0.25
  Fragment mass: 50.0586
  Fragment main chain atoms: [7, 10]
  Fragment all atoms: [7, 24, 6, 23, 9, 10, 14]
  

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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