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

Submission ID: XRX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.85

List of identified carbohydrate fragments:

• C₄H₈N₁O₁
  Fragment probability: 0.56
  Fragment mass: 86.1121
  Fragment main chain atoms: [7, 6, 8, 1]
  Fragment all atoms: [7, 31, 32, 13, 6, 29, 30, 8, 33, 10, 1, 14, 15, 16]
  

• C₅H₈N₁O₂
  Fragment probability: 0.55
  Fragment mass: 130.1447
  Fragment main chain atoms: [7, 13, 9, 11, 4]
  Fragment all atoms: [7, 31, 32, 6, 29, 30, 8, 33, 13, 9, 12, 11, 4, 23, 24, 25]
  

• C₅H₈N₁O₂
  Fragment probability: 0.55
  Fragment mass: 130.1447
  Fragment main chain atoms: [7, 13, 9, 11, 5]
  Fragment all atoms: [7, 31, 32, 6, 29, 30, 8, 33, 13, 9, 12, 11, 5, 26, 27, 28]
  

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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