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

Submission ID: XXX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₉N₂O₃
  Fragment probability: 1.00
  Fragment mass: 161.17850000000004
  Fragment main chain atoms: [4, 11, 10, 7, 3, 1]
  Fragment all atoms: [4, 28, 15, 11, 35, 22, 10, 34, 20, 48, 7, 31, 17, 45, 3, 27, 14, 1, 23, 24]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 177.17790000000005
  Fragment main chain atoms: [6, 9, 8, 5, 21, 12, 19, 33, 47, 18, 32, 46]
  Fragment all atoms: [6, 30, 16, 9, 8, 5, 29, 2, 25, 26, 13, 21, 12, 36, 22, 19, 33, 47, 18, 32, 46]
  

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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