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

Submission ID: BUL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.71

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [13, 14, 11, 32, 16, 12, 7, 58, 1, 22, 18, 23, 54, 62]
  Fragment all atoms: [13, 14, 55, 33, 11, 52, 6, 47, 48, 21, 61, 32, 16, 56, 31, 12, 53, 7, 58, 1, 36, 37, 38, 22, 18, 23, 54, 62]
  

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 143.14020000000002
  Fragment main chain atoms: [4, 8, 19, 9, 10]
  Fragment all atoms: [4, 43, 44, 8, 49, 15, 24, 17, 19, 9, 50, 5, 45, 46, 20, 60, 10, 51, 31]
  

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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