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

Submission ID: NFH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.45
• Compound probability: 0.86

List of identified carbohydrate fragments:

• C₁₃H₂₀N₃O₃
  Fragment probability: 0.45
  Fragment mass: 241.2234
  Fragment main chain atoms: [9, 18, 8, 11, 13, 17, 12, 14, 16, 6]
  Fragment all atoms: [9, 45, 19, 18, 8, 43, 44, 11, 47, 7, 41, 42, 10, 46, 13, 20, 17, 12, 48, 15, 3, 5, 4, 29, 30, 31, 35, 36, 37, 32, 33, 34, 14, 21, 16, 6, 38, 39, 40]
  

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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