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

Submission ID: 4LM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₄H₅N₁O₂
  Fragment probability: 0.50
  Fragment mass: 99.08780000000002
  Fragment main chain atoms: [12, 10, 3, 1]
  Fragment all atoms: [12, 16, 17, 35, 10, 14, 3, 29, 1, 23, 24, 25]
  

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 109.08270000000002
  Fragment main chain atoms: [12, 10, 14, 5]
  Fragment all atoms: [12, 16, 17, 35, 10, 3, 29, 1, 23, 24, 25, 14, 5, 31]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [12, 10]
  Fragment all atoms: [12, 16, 17, 35, 10]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 54.0704
  Fragment main chain atoms: [1, 3]
  Fragment all atoms: [1, 23, 24, 25, 3, 29]
  

• C₃H₄
  Fragment probability: 0.33
  Fragment mass: 85.08109999999999
  Fragment main chain atoms: [1, 3, 10]
  Fragment all atoms: [1, 23, 24, 25, 3, 29, 10]
  

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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