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

Submission ID: 6UO
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 0.37

List of identified carbohydrate fragments:

• C₃H₄O₃
  Fragment probability: 0.97
  Fragment mass: 84.0732
  Fragment main chain atoms: [13, 28, 20]
  Fragment all atoms: [13, 47, 48, 14, 49, 50, 29, 28, 20, 24]
  

• C₅H₇N₁O₃
  Fragment probability: 0.59
  Fragment mass: 99.0878
  Fragment main chain atoms: [13, 14, 29, 21]
  Fragment all atoms: [13, 47, 48, 28, 14, 49, 50, 29, 21, 19, 54, 10, 42, 43, 23, 25]
  

• C₆H₇N₁O₄
  Fragment probability: 0.58
  Fragment mass: 123.10919999999999
  Fragment main chain atoms: [20, 28, 13, 14, 29, 21]
  Fragment all atoms: [20, 24, 28, 13, 47, 48, 14, 49, 50, 29, 21, 19, 54, 10, 42, 43, 23, 25]
  

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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