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

Submission ID: A1X
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.94

List of identified carbohydrate fragments:

• C₅H₉O₃
  Fragment probability: 0.75
  Fragment mass: 87.0969
  Fragment main chain atoms: [4, 16, 10]
  Fragment all atoms: [4, 26, 27, 1, 17, 18, 19, 16, 10, 8, 33, 5, 28, 29, 13, 36, 15]
  

• C₈H₁₃N₁O₄
  Fragment probability: 0.62
  Fragment mass: 203.21509999999998
  Fragment main chain atoms: [10, 8, 5, 9, 12, 6, 7, 2]
  Fragment all atoms: [10, 16, 15, 8, 33, 13, 36, 5, 28, 29, 9, 14, 12, 6, 30, 31, 7, 32, 3, 23, 24, 25, 2, 20, 21, 22]
  

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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