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

Submission ID: HEY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.30

List of identified carbohydrate fragments:

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 99.08780000000002
  Fragment main chain atoms: [13, 11, 3]
  Fragment all atoms: [13, 17, 18, 43, 11, 15, 3, 33, 2, 31, 32, 4, 34, 35]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [13, 11]
  Fragment all atoms: [13, 17, 18, 43, 11]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 84.0732
  Fragment main chain atoms: [3, 11]
  Fragment all atoms: [3, 33, 2, 31, 32, 4, 34, 35, 11]
  

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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