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

Submission ID: OAF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.83

List of identified carbohydrate fragments:

• C₄H₄O₆
  Fragment probability: 0.80
  Fragment mass: 148.07080000000002
  Fragment main chain atoms: [1, 3, 4, 2]
  Fragment all atoms: [1, 7, 8, 13, 3, 4, 11, 12, 15, 16, 2, 9, 10, 14]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 103.05340000000001
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 7, 8, 13, 3]
  

• C₃H₃O₄
  Fragment probability: 0.79
  Fragment mass: 148.07080000000002
  Fragment main chain atoms: [2, 4, 3]
  Fragment all atoms: [2, 9, 10, 14, 4, 11, 12, 15, 16, 3]
  

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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