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

Submission ID: 74P
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₅H₆N₁O₃
  Fragment probability: 0.55
  Fragment mass: 128.1058
  Fragment main chain atoms: [11, 9, 6, 7, 1]
  Fragment all atoms: [11, 17, 18, 36, 9, 13, 6, 30, 31, 7, 14, 1, 19, 20, 21]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [11, 9]
  Fragment all atoms: [11, 17, 18, 36, 9]
  

• C₄H₅O₁
  Fragment probability: 0.44
  Fragment mass: 114.09909999999999
  Fragment main chain atoms: [1, 7, 6, 9]
  Fragment all atoms: [1, 19, 20, 21, 7, 14, 6, 30, 31, 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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