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

Submission ID: GQK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.70
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₁₄H₁₉N₃O₄
  Fragment probability: 0.44
  Fragment mass: 255.3126
  Fragment main chain atoms: [1, 21, 29, 34, 26, 30, 33, 25, 28, 31]
  Fragment all atoms: [1, 43, 44, 45, 21, 78, 32, 29, 38, 34, 26, 80, 19, 74, 75, 23, 30, 39, 33, 25, 79, 18, 72, 73, 22, 28, 81, 37, 85, 31, 3, 2, 49, 50, 51, 46, 47, 48, 40, 86]
  

• C₅H₁₀O₂
  Fragment probability: 0.70
  Fragment mass: 72.1054
  Fragment main chain atoms: [2, 31, 3]
  Fragment all atoms: [2, 46, 47, 48, 31, 28, 81, 25, 79, 37, 85, 40, 86, 3, 49, 50, 51]
  

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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