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

Submission ID: 0AK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.84
• Compound probability: 0.92

List of identified carbohydrate fragments:

• C₅H₇O₂
  Fragment probability: 0.55
  Fragment mass: 70.0896
  Fragment main chain atoms: [2, 12, 5]
  Fragment all atoms: [2, 15, 16, 1, 13, 14, 12, 5, 3, 17, 18, 4, 19, 9]
  

• C₆H₈N₁O₄
  Fragment probability: 0.62
  Fragment mass: 160.1475
  Fragment main chain atoms: [2, 12, 5, 3, 4, 6]
  Fragment all atoms: [2, 15, 16, 1, 13, 14, 12, 5, 9, 3, 17, 18, 4, 19, 8, 6, 10, 11, 22]
  

• C₄H₄N₁O₄
  Fragment probability: 0.84
  Fragment mass: 132.0945
  Fragment main chain atoms: [5, 3, 4, 6]
  Fragment all atoms: [5, 9, 12, 3, 17, 18, 4, 19, 8, 6, 10, 11, 22]
  

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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