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

Submission ID: 3BM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 106.1002
  Fragment main chain atoms: [6, 9, 7]
  Fragment all atoms: [6, 32, 33, 23, 39, 9, 36, 24, 40, 7, 34, 35, 26]
  

• C₄H₇N₁O₄
  Fragment probability: 0.88
  Fragment mass: 130.1216
  Fragment main chain atoms: [6, 9, 7, 26, 22, 16]
  Fragment all atoms: [6, 32, 33, 23, 39, 9, 36, 24, 40, 7, 34, 35, 26, 22, 16, 25]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 99.0878
  Fragment main chain atoms: [7, 26, 22, 16]
  Fragment all atoms: [7, 34, 35, 26, 22, 16, 25]
  

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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