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

Submission ID: 6A9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₆H₁₂N₁O₄
  Fragment probability: 1.00
  Fragment mass: 190.19650000000004
  Fragment main chain atoms: [11, 14, 16, 15, 13, 17]
  Fragment all atoms: [11, 44, 45, 14, 49, 19, 53, 16, 51, 21, 55, 15, 50, 20, 54, 13, 48, 12, 46, 47, 18, 52, 17]
  

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 59.0868
  Fragment main chain atoms: [10, 22, 1]
  Fragment all atoms: [10, 42, 43, 8, 38, 39, 6, 34, 35, 22, 1, 23, 24, 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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