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

Submission ID: FZN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.46

List of identified carbohydrate fragments:

• C₅H₈O₄
  Fragment probability: 1.00
  Fragment mass: 132.11430000000001
  Fragment main chain atoms: [18, 16, 13, 44, 23]
  Fragment all atoms: [18, 72, 34, 82, 16, 70, 32, 80, 13, 68, 7, 62, 63, 42, 44, 23, 74]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [15, 17, 21, 43, 12]
  Fragment all atoms: [15, 69, 31, 79, 17, 71, 33, 81, 21, 73, 30, 43, 12, 67, 6, 60, 61, 41]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 262.0482
  Fragment main chain atoms: [6, 41, 46, 45, 47, 42, 7]
  Fragment all atoms: [6, 60, 61, 41, 46, 45, 47, 42, 7, 62, 63]
  

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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