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

Submission ID: ONX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.21

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₁
  Fragment probability: 0.46
  Fragment mass: 84.0963
  Fragment main chain atoms: [36, 39, 42]
  Fragment all atoms: [36, 116, 34, 113, 32, 109, 110, 39, 120, 38, 119, 3, 50, 51, 52, 41, 42, 122]
  

• C₄H₇N₁O₁
  Fragment probability: 0.50
  Fragment mass: 99.13070000000002
  Fragment main chain atoms: [3, 38, 39, 36]
  Fragment all atoms: [3, 50, 51, 52, 38, 119, 41, 39, 120, 42, 122, 36, 116]
  

• C₆H₉O₁
  Fragment probability: 0.46
  Fragment mass: 70.0896
  Fragment main chain atoms: [34, 36]
  Fragment all atoms: [34, 113, 32, 109, 110, 30, 105, 106, 36, 116, 39, 120, 38, 119, 42, 122]
  

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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