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

Submission ID: 6K9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₉H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 172.1351
  Fragment main chain atoms: [38, 39, 35, 29, 49, 37]
  Fragment all atoms: [38, 107, 50, 39, 108, 52, 35, 104, 47, 29, 98, 8, 69, 70, 6, 65, 66, 49, 37, 106, 36, 105, 33, 102, 51]
  

• C₈H₈O₄
  Fragment probability: 1.00
  Fragment mass: 143.11710000000002
  Fragment main chain atoms: [33, 50, 38, 37, 36]
  Fragment all atoms: [33, 102, 17, 87, 88, 40, 50, 38, 107, 39, 108, 35, 104, 52, 37, 106, 49, 36, 105, 51]
  

• C₈H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 127.1177
  Fragment main chain atoms: [17, 33, 36, 51, 40]
  Fragment all atoms: [17, 87, 88, 33, 102, 50, 36, 105, 37, 106, 38, 107, 49, 51, 40, 10, 73, 74, 9, 71, 72, 52]
  

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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