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

Submission ID: PUA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₅H₇N₁O₃
  Fragment probability: 1.00
  Fragment mass: 129.1137
  Fragment main chain atoms: [3, 8, 9, 42, 12]
  Fragment all atoms: [3, 53, 54, 8, 61, 44, 9, 62, 4, 55, 56, 40, 42, 12, 64, 25]
  

• C₅H₇N₁O₄
  Fragment probability: 1.00
  Fragment mass: 145.1131
  Fragment main chain atoms: [15, 14, 18, 43, 10]
  Fragment all atoms: [15, 66, 45, 14, 65, 28, 71, 18, 67, 26, 43, 10, 63, 5, 57, 58, 41]
  

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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