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

Submission ID: 4UW
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [16, 17, 20, 34, 13]
  Fragment all atoms: [16, 51, 28, 56, 17, 52, 29, 57, 20, 53, 25, 34, 13, 50, 7, 46, 47, 33]
  

• C₂H₂O₃
  Fragment probability: 0.80
  Fragment mass: 164.05309999999997
  Fragment main chain atoms: [7, 33, 36, 35, 14]
  Fragment all atoms: [7, 46, 47, 33, 36, 35, 14, 27]
  

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 82.05740000000002
  Fragment main chain atoms: [14, 5, 3]
  Fragment all atoms: [14, 35, 27, 5, 44, 3, 41]
  

• C₄H₂O₂
  Fragment probability: 0.38
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [14, 5]
  Fragment all atoms: [14, 35, 27, 5, 44, 3, 41, 10]
  

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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