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

Submission ID: BBM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 106.1002
  Fragment main chain atoms: [5, 8, 6]
  Fragment all atoms: [5, 32, 33, 24, 39, 8, 36, 25, 40, 6, 34, 35, 27]
  

• C₄H₇N₁O₄
  Fragment probability: 0.88
  Fragment mass: 130.1216
  Fragment main chain atoms: [5, 8, 6, 27, 23, 16]
  Fragment all atoms: [5, 32, 33, 24, 39, 8, 36, 25, 40, 6, 34, 35, 27, 23, 16, 26]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 99.0878
  Fragment main chain atoms: [6, 27, 23, 16]
  Fragment all atoms: [6, 34, 35, 27, 23, 16, 26]
  

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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