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

Submission ID: 6CK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₆H₈O₅
  Fragment probability: 1.00
  Fragment mass: 160.12440000000004
  Fragment main chain atoms: [9, 6, 7, 10, 37, 14, 29, 50, 61, 26, 47, 58, 48, 27, 59]
  Fragment all atoms: [9, 6, 7, 10, 51, 16, 37, 14, 53, 38, 29, 50, 61, 26, 47, 58, 48, 27, 59]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [5, 8, 13, 36, 3]
  Fragment all atoms: [5, 46, 25, 57, 8, 49, 28, 60, 13, 52, 24, 36, 3, 45, 1, 42, 43, 35]
  

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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