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

Submission ID: D9A
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.86
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₄H₅N₁O₄
  Fragment probability: 0.86
  Fragment mass: 132.0945
  Fragment main chain atoms: [23, 12, 18, 27]
  Fragment all atoms: [23, 33, 34, 72, 12, 62, 63, 18, 68, 30, 27, 36, 37, 73]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 71.1404
  Fragment main chain atoms: [1, 28]
  Fragment all atoms: [1, 41, 42, 43, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 71.1404
  Fragment main chain atoms: [2, 28]
  Fragment all atoms: [2, 44, 45, 46, 28]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 71.1404
  Fragment main chain atoms: [3, 28]
  Fragment all atoms: [3, 47, 48, 49, 28]
  

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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