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

Submission ID: 6UD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.91

List of identified carbohydrate fragments:

• C₁₀H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 230.19420000000002
  Fragment main chain atoms: [5, 2, 7, 22, 10, 8, 4, 37, 1, 16, 14, 29, 17, 39]
  Fragment all atoms: [5, 2, 26, 7, 11, 20, 21, 42, 22, 10, 33, 9, 32, 6, 30, 19, 41, 8, 31, 4, 37, 1, 23, 24, 25, 16, 14, 29, 17, 39]
  

• C₃H₆N₁O₂
  Fragment probability: 0.71
  Fragment mass: 84.0963
  Fragment main chain atoms: [6, 9]
  Fragment all atoms: [6, 30, 3, 27, 28, 13, 18, 40, 9, 32, 19, 41]
  

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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