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

Submission ID: 3DD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.88
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₄H₇N₁O₄
  Fragment probability: 0.88
  Fragment mass: 116.0951
  Fragment main chain atoms: [10, 8, 6]
  Fragment all atoms: [10, 17, 18, 30, 8, 25, 16, 29, 6, 24, 3, 21, 22, 14, 15, 28]
  

• C₂H₃O₃
  Fragment probability: 0.88
  Fragment mass: 88.06190000000001
  Fragment main chain atoms: [10, 8]
  Fragment all atoms: [10, 17, 18, 30, 8, 25, 16, 29]
  

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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