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

Submission ID: H1S
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.66

List of identified carbohydrate fragments:

• C₆H₉N₁O₅
  Fragment probability: 1.00
  Fragment mass: 176.14690000000004
  Fragment main chain atoms: [5, 29, 11, 6, 7, 9, 18, 45, 50, 15, 42, 49]
  Fragment all atoms: [5, 40, 2, 37, 38, 28, 29, 11, 6, 41, 13, 7, 9, 44, 31, 18, 45, 50, 15, 42, 49]
  

• C₆H₅O₆
  Fragment probability: 1.00
  Fragment mass: 173.10010000000003
  Fragment main chain atoms: [3, 8, 12, 30, 4, 1, 14, 39, 48]
  Fragment all atoms: [3, 8, 43, 32, 12, 46, 31, 30, 4, 10, 16, 17, 1, 36, 14, 39, 48]
  

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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