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

Submission ID: BRZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.70
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 67.1088
  Fragment main chain atoms: [2, 18]
  Fragment all atoms: [2, 26, 27, 28, 18]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 67.1088
  Fragment main chain atoms: [3, 18]
  Fragment all atoms: [3, 29, 30, 31, 18]
  

• C₅H₁₀O₂
  Fragment probability: 0.70
  Fragment mass: 71.09750000000001
  Fragment main chain atoms: [4, 19, 5]
  Fragment all atoms: [4, 32, 33, 34, 19, 16, 44, 9, 41, 42, 22, 21, 45, 5, 35, 36, 37]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 39.0558
  Fragment main chain atoms: [1, 6]
  Fragment all atoms: [1, 24, 25, 6, 38, 18, 13, 2, 3, 26, 27, 28, 29, 30, 31]
  

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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