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

Submission ID: PHR
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.31

List of identified carbohydrate fragments:

• C₅H₁₁N₁O₄
  Fragment probability: 0.77
  Fragment mass: 132.1374
  Fragment main chain atoms: [8, 10, 12, 9]
  Fragment all atoms: [8, 47, 48, 21, 54, 10, 50, 23, 56, 12, 51, 24, 57, 9, 49, 7, 45, 46, 20, 22, 55]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [8, 10]
  Fragment all atoms: [8, 47, 48, 21, 54, 10, 50, 23, 56]
  

• C₅H₁₁O₄
  Fragment probability: 0.85
  Fragment mass: 104.10420000000002
  Fragment main chain atoms: [8, 10, 12]
  Fragment all atoms: [8, 47, 48, 21, 54, 10, 50, 23, 56, 12, 51, 9, 49, 7, 45, 46, 22, 55, 24, 57]
  

• C₃H₆N₁O₂
  Fragment probability: 0.71
  Fragment mass: 84.0963
  Fragment main chain atoms: [9, 12]
  Fragment all atoms: [9, 49, 7, 45, 46, 20, 22, 55, 12, 51, 24, 57]
  

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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