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

Submission ID: B1U
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [33, 17, 13, 12, 10]
  Fragment all atoms: [33, 17, 46, 23, 13, 45, 26, 51, 12, 44, 25, 50, 10, 43, 5, 39, 40, 32]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 162.14369999999997
  Fragment main chain atoms: [5, 32, 34, 22, 16]
  Fragment all atoms: [5, 39, 40, 32, 34, 22, 16, 27]
  

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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