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

Submission ID: GEG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.89

List of identified carbohydrate fragments:

• C₄H₅O₂
  Fragment probability: 0.56
  Fragment mass: 98.0997
  Fragment main chain atoms: [6, 4, 3, 5]
  Fragment all atoms: [6, 8, 9, 20, 4, 16, 17, 3, 14, 15, 5]
  

• C₂H₄
  Fragment probability: 0.50
  Fragment mass: 56.0862
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 10, 11, 12, 2, 13]
  

• C₃H₄
  Fragment probability: 0.33
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [1, 2, 5]
  Fragment all atoms: [1, 10, 11, 12, 2, 13, 5]
  

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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