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

Submission ID: R0N
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.21

List of identified carbohydrate fragments:

• C₄H₉O₂
  Fragment probability: 0.69
  Fragment mass: 89.1127
  Fragment main chain atoms: [1, 10, 11, 2]
  Fragment all atoms: [1, 30, 31, 32, 10, 45, 26, 51, 11, 46, 28, 2, 33, 34, 35]
  

• C₂H₅O₁
  Fragment probability: 0.62
  Fragment mass: 57.071
  Fragment main chain atoms: [1, 10]
  Fragment all atoms: [1, 30, 31, 32, 10, 45, 26, 51]
  

• C₂H₄O₁
  Fragment probability: 0.75
  Fragment mass: 58.0789
  Fragment main chain atoms: [2, 11]
  Fragment all atoms: [2, 33, 34, 35, 11, 46, 28]
  

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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