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

Submission ID: DGS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₆H₈O₄
  Fragment probability: 1.00
  Fragment mass: 131.1064
  Fragment main chain atoms: [12, 4, 3, 2, 1]
  Fragment all atoms: [12, 4, 20, 5, 21, 6, 22, 14, 3, 19, 7, 23, 2, 18, 13, 1, 16, 17]
  

• C₆H₉O₅
  Fragment probability: 1.00
  Fragment mass: 177.13170000000005
  Fragment main chain atoms: [13, 6, 5, 4, 3, 2, 8, 22, 24, 7, 19, 23]
  Fragment all atoms: [13, 6, 5, 21, 14, 4, 20, 12, 3, 2, 18, 1, 16, 17, 8, 22, 24, 7, 19, 23]
  

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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