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

Submission ID: BTX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [15, 16, 19, 35, 11]
  Fragment all atoms: [15, 58, 28, 65, 16, 59, 29, 66, 19, 60, 27, 35, 11, 55, 6, 48, 49, 34]
  

• C₄H₈O₂
  Fragment probability: 0.75
  Fragment mass: 167.07680000000002
  Fragment main chain atoms: [5, 33, 36, 34, 6]
  Fragment all atoms: [5, 46, 47, 3, 42, 43, 1, 38, 39, 33, 36, 34, 6, 48, 49]
  

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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