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

Submission ID: EVM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₃H₄N₁O₃
  Fragment probability: 0.83
  Fragment mass: 102.0686
  Fragment main chain atoms: [4, 9, 11]
  Fragment all atoms: [4, 28, 29, 14, 32, 9, 13, 11, 17, 16, 34]
  

• C₄H₅N₁O₃
  Fragment probability: 0.61
  Fragment mass: 127.0979
  Fragment main chain atoms: [4, 9, 13, 3]
  Fragment all atoms: [4, 28, 29, 14, 32, 9, 11, 17, 16, 34, 13, 3, 27]
  

• C₂H₃O₁
  Fragment probability: 0.62
  Fragment mass: 88.0619
  Fragment main chain atoms: [4, 9]
  Fragment all atoms: [4, 28, 29, 14, 32, 9]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 88.06190000000001
  Fragment main chain atoms: [11, 9]
  Fragment all atoms: [11, 17, 16, 34, 9]
  

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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