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

Submission ID: OOB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [12, 13, 16, 29, 10]
  Fragment all atoms: [12, 42, 23, 47, 13, 43, 24, 48, 16, 44, 22, 29, 10, 41, 6, 37, 38, 28]
  

• C₂H₂O₃
  Fragment probability: 0.80
  Fragment mass: 163.04519999999997
  Fragment main chain atoms: [6, 28, 31, 30, 17]
  Fragment all atoms: [6, 37, 38, 28, 31, 30, 17, 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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