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

Submission ID: 1JB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₆H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 163.14810000000003
  Fragment main chain atoms: [13, 12, 11, 7, 30, 15, 22, 53, 59, 52, 21, 58, 20, 51, 57]
  Fragment all atoms: [13, 12, 11, 7, 47, 2, 39, 40, 41, 30, 15, 54, 32, 22, 53, 59, 52, 21, 58, 20, 51, 57]
  

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [3, 8, 9, 31, 10]
  Fragment all atoms: [3, 42, 43, 8, 48, 19, 56, 9, 49, 5, 45, 46, 29, 31, 10, 50, 18]
  

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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