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

Submission ID: 1XG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 41.0716
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 17, 18, 19, 2, 20]
  

• C₅H₈
  Fragment probability: 0.40
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 3]
  Fragment all atoms: [2, 20, 1, 17, 18, 19, 3, 21, 4, 22, 23, 5, 24]
  

• C₆H₉
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [5, 6]
  Fragment all atoms: [5, 24, 4, 22, 23, 3, 21, 6, 25, 7, 26, 27, 8, 28, 29]
  

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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