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

Submission ID: PJE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₅H₆N₁O₂
  Fragment probability: 0.45
  Fragment mass: 100.09570000000001
  Fragment main chain atoms: [8, 2, 1]
  Fragment all atoms: [8, 12, 13, 28, 2, 16, 1, 15, 7, 24, 5, 21, 22, 10]
  

• C₄H₄O₂
  Fragment probability: 0.50
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [8, 2]
  Fragment all atoms: [8, 12, 13, 28, 2, 16, 1, 15, 7, 24]
  

• C₄H₅N₁
  Fragment probability: 0.28
  Fragment mass: 100.0957
  Fragment main chain atoms: [1, 2]
  Fragment all atoms: [1, 15, 7, 24, 5, 21, 22, 10, 2, 16]
  

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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