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

Submission ID: P1T
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.93
• Compound probability: 0.29

List of identified carbohydrate fragments:

• C₃H₃N₁O₂
  Fragment probability: 0.50
  Fragment mass: 86.06920000000001
  Fragment main chain atoms: [11, 7, 2]
  Fragment all atoms: [11, 15, 16, 34, 7, 13, 2, 25, 26]
  

• C₂H₁O₂
  Fragment probability: 0.93
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [11, 7]
  Fragment all atoms: [11, 15, 16, 34, 7]
  

• C₂H₂
  Fragment probability: 0.25
  Fragment mass: 71.0546
  Fragment main chain atoms: [2, 7]
  Fragment all atoms: [2, 25, 26, 7]
  

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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