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

Submission ID: TA9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₇H₁₃N₂O₃
  Fragment probability: 1.00
  Fragment mass: 175.205
  Fragment main chain atoms: [17, 20, 19, 15, 23, 10]
  Fragment all atoms: [17, 43, 24, 48, 20, 45, 27, 50, 19, 44, 26, 49, 15, 42, 9, 39, 40, 22, 23, 10, 41, 1, 29, 30, 31]
  

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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