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

Submission ID: 77N
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.57
• Compound probability: 0.27

List of identified carbohydrate fragments:

• C₄H₈N₂O₁
  Fragment probability: 0.50
  Fragment mass: 101.12669999999999
  Fragment main chain atoms: [7, 33, 8]
  Fragment all atoms: [7, 42, 43, 5, 38, 39, 25, 33, 8, 44, 45, 6, 40, 41, 29]
  

• C₃H₄N₁O₂
  Fragment probability: 0.57
  Fragment mass: 83.0884
  Fragment main chain atoms: [7, 5, 25, 22]
  Fragment all atoms: [7, 42, 43, 33, 5, 38, 39, 25, 22, 32]
  

• C₅H₈N₂O₂
  Fragment probability: 0.50
  Fragment mass: 125.1481
  Fragment main chain atoms: [8, 33, 7, 5, 25, 22]
  Fragment all atoms: [8, 44, 45, 6, 40, 41, 29, 33, 7, 42, 43, 5, 38, 39, 25, 22, 32]
  

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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