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

Submission ID: SE8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.69
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₉H₁₀N₂O₆
  Fragment probability: 0.55
  Fragment mass: 216.19080000000002
  Fragment main chain atoms: [13, 8, 7, 20, 12, 6, 16, 15]
  Fragment all atoms: [13, 25, 26, 52, 8, 46, 17, 7, 44, 45, 20, 12, 24, 6, 42, 43, 16, 5, 40, 41, 11, 31, 55, 15, 30, 29, 54]
  

• C₄H₅O₃
  Fragment probability: 0.69
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [14, 9]
  Fragment all atoms: [14, 28, 27, 53, 9, 1, 32, 33, 2, 34, 35, 21]
  

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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