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

Submission ID: CZD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.43
• Compound probability: 0.22

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [3, 47]
  Fragment all atoms: [3, 72, 73, 74, 47]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [4, 47]
  Fragment all atoms: [4, 75, 76, 77, 47]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.12459999999999
  Fragment main chain atoms: [5, 47]
  Fragment all atoms: [5, 78, 79, 80, 47]
  

• C₆H₈N₂O₂
  Fragment probability: 0.43
  Fragment mass: 150.1576
  Fragment main chain atoms: [6, 58, 46, 36, 56, 43]
  Fragment all atoms: [6, 81, 82, 83, 58, 46, 63, 36, 113, 15, 92, 93, 16, 94, 95, 56, 43, 60]
  

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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