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

Submission ID: D3X
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [16, 15, 14, 12, 30, 17, 24, 50, 56, 49, 23, 55, 22, 48, 54]
  Fragment all atoms: [16, 15, 14, 12, 47, 9, 45, 46, 20, 53, 30, 17, 51, 29, 24, 50, 56, 49, 23, 55, 22, 48, 54]
  

• C₄H₆N₂O₂
  Fragment probability: 0.50
  Fragment mass: 100.0957
  Fragment main chain atoms: [7, 6, 19, 8, 13]
  Fragment all atoms: [7, 41, 42, 29, 6, 39, 40, 19, 8, 43, 44, 13, 21, 18]
  

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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