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

Submission ID: ICU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.62
• Compound probability: 0.63

List of identified carbohydrate fragments:

• C₇H₅O₄
  Fragment probability: 0.46
  Fragment mass: 112.0833
  Fragment main chain atoms: [6, 19, 10, 12]
  Fragment all atoms: [6, 1, 20, 21, 22, 14, 19, 10, 29, 8, 4, 9, 27, 12, 17, 18]
  

• C₈H₈O₄
  Fragment probability: 0.50
  Fragment mass: 127.1177
  Fragment main chain atoms: [6, 19, 10, 12, 18, 2]
  Fragment all atoms: [6, 1, 20, 21, 22, 14, 19, 10, 29, 8, 4, 9, 27, 12, 17, 18, 2, 23, 24, 25]
  

• C₄H₄O₃
  Fragment probability: 0.62
  Fragment mass: 72.06250000000001
  Fragment main chain atoms: [12, 18, 2]
  Fragment all atoms: [12, 10, 29, 8, 19, 17, 18, 2, 23, 24, 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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