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

Submission ID: G2M
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [6, 3, 8, 29, 7]
  Fragment all atoms: [6, 45, 19, 51, 3, 40, 41, 8, 47, 18, 29, 7, 46, 4, 42, 43, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 42.079499999999996
  Fragment main chain atoms: [1, 13]
  Fragment all atoms: [1, 34, 35, 36, 13]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 42.079499999999996
  Fragment main chain atoms: [2, 13]
  Fragment all atoms: [2, 37, 38, 39, 13]
  

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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