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

Submission ID: 5H9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.44
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₁₄H₁₄N₃O₅
  Fragment probability: 0.39
  Fragment mass: 320.2152
  Fragment main chain atoms: [13, 32, 21, 23, 14, 33, 25, 17, 19, 24, 18, 20]
  Fragment all atoms: [13, 58, 59, 16, 10, 9, 53, 52, 32, 21, 29, 23, 14, 60, 61, 33, 25, 17, 63, 11, 54, 55, 15, 62, 19, 26, 24, 18, 64, 12, 56, 57, 22, 20, 27, 28, 68]
  

• C₄H₄N₁O₂
  Fragment probability: 0.44
  Fragment mass: 144.191
  Fragment main chain atoms: [20, 18, 12, 22]
  Fragment all atoms: [20, 27, 28, 68, 18, 64, 24, 12, 56, 57, 22]
  

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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