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

Submission ID: HZ2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₅H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 144.1283
  Fragment main chain atoms: [16, 18, 24, 46, 12]
  Fragment all atoms: [16, 67, 40, 79, 18, 69, 42, 81, 24, 71, 37, 46, 12, 65, 5, 56, 57, 36]
  

• C₅H₉N₁O₄
  Fragment probability: 1.00
  Fragment mass: 147.12890000000002
  Fragment main chain atoms: [19, 17, 13, 47, 25]
  Fragment all atoms: [19, 70, 43, 82, 17, 68, 41, 80, 13, 66, 6, 58, 59, 39, 78, 47, 25, 72, 38]
  

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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