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

Submission ID: 9QZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [5, 7, 9, 11, 32, 4, 50, 14, 59, 56, 15, 60]
  Fragment all atoms: [5, 7, 52, 35, 9, 54, 37, 11, 32, 4, 49, 2, 46, 47, 31, 50, 14, 59, 56, 15, 60]
  

• C₆H₈O₆
  Fragment probability: 1.00
  Fragment mass: 176.12380000000005
  Fragment main chain atoms: [6, 8, 10, 12, 33, 3]
  Fragment all atoms: [6, 51, 34, 8, 53, 36, 10, 55, 38, 12, 57, 31, 33, 3, 48, 1, 44, 45, 13, 58]
  

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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