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

Submission ID: 6OM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₁₀O₂
  Fragment probability: 0.70
  Fragment mass: 102.13130000000001
  Fragment main chain atoms: [3, 2, 5, 4]
  Fragment all atoms: [3, 12, 13, 6, 16, 2, 11, 5, 1, 8, 9, 10, 4, 14, 15, 7, 17]
  

• C₂H₄O₁
  Fragment probability: 0.75
  Fragment mass: 56.0631
  Fragment main chain atoms: [3, 2]
  Fragment all atoms: [3, 12, 13, 6, 16, 2, 11]
  

• C₅H₉O₁
  Fragment probability: 0.55
  Fragment mass: 71.09750000000001
  Fragment main chain atoms: [4, 5, 1]
  Fragment all atoms: [4, 14, 15, 7, 17, 5, 2, 11, 3, 12, 13, 1, 8, 9, 10]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 71.0975
  Fragment main chain atoms: [4, 5]
  Fragment all atoms: [4, 14, 15, 7, 17, 5]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 71.0975
  Fragment main chain atoms: [1, 5]
  Fragment all atoms: [1, 8, 9, 10, 5]
  

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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