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

Submission ID: MA8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.97

List of identified carbohydrate fragments:

• C₉H₁₄N₂O₆
  Fragment probability: 1.00
  Fragment mass: 232.21000000000004
  Fragment main chain atoms: [6, 7, 5, 15, 27, 4, 14, 48, 3, 26, 17, 19, 37, 50, 38, 20, 51]
  Fragment all atoms: [6, 7, 5, 36, 15, 45, 28, 27, 4, 35, 1, 30, 31, 18, 49, 14, 48, 3, 34, 2, 32, 33, 16, 26, 17, 19, 37, 50, 38, 20, 51]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [11, 9, 8, 10, 12, 13]
  Fragment all atoms: [11, 42, 24, 55, 9, 40, 22, 53, 8, 39, 21, 52, 10, 41, 23, 54, 12, 43, 25, 56, 13, 44, 28]
  

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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