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

Submission ID: 9AM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₁₀H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 230.19420000000002
  Fragment main chain atoms: [5, 2, 7, 20, 10, 8, 4, 34, 1, 13, 14, 15, 27, 35]
  Fragment all atoms: [5, 2, 24, 7, 11, 18, 19, 38, 20, 10, 31, 9, 30, 6, 28, 17, 37, 8, 29, 4, 34, 1, 21, 22, 23, 13, 14, 15, 27, 35]
  

• C₃H₆N₁O₂
  Fragment probability: 0.71
  Fragment mass: 85.1042
  Fragment main chain atoms: [6, 9]
  Fragment all atoms: [6, 28, 3, 25, 26, 12, 16, 36, 9, 30, 17, 37]
  

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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