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

Submission ID: ZID
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.44

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [21, 19, 15, 48, 26]
  Fragment all atoms: [21, 70, 39, 80, 19, 68, 37, 78, 15, 66, 8, 60, 61, 46, 48, 26, 72, 34]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [20, 22, 27, 49, 16]
  Fragment all atoms: [20, 69, 38, 79, 22, 71, 40, 81, 27, 73, 35, 49, 16, 67, 9, 62, 63, 47]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 261.0403
  Fragment main chain atoms: [8, 46, 51, 50, 52, 47, 9]
  Fragment all atoms: [8, 60, 61, 46, 51, 50, 52, 47, 9, 62, 63]
  

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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