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

Submission ID: FNH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.39
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₁₁H₉N₃O₅
  Fragment probability: 0.38
  Fragment mass: 210.1665
  Fragment main chain atoms: [41, 36, 46, 34, 26, 42, 40, 37]
  Fragment all atoms: [41, 53, 54, 109, 36, 103, 30, 21, 22, 90, 91, 46, 34, 48, 26, 97, 98, 42, 40, 52, 37, 31, 100, 15, 80, 81, 43, 49]
  

• C₈H₆N₂O₄
  Fragment probability: 0.39
  Fragment mass: 182.1333
  Fragment main chain atoms: [41, 36, 46, 34, 26, 42, 40]
  Fragment all atoms: [41, 53, 54, 109, 36, 103, 30, 21, 22, 90, 91, 46, 34, 48, 26, 97, 98, 42, 40, 52]
  

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 68.054
  Fragment main chain atoms: [37, 40]
  Fragment all atoms: [37, 31, 100, 15, 80, 81, 43, 49, 40, 52, 42]
  

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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