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

Submission ID: VG3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.40
• Compound probability: 0.38

List of identified carbohydrate fragments:

• C₉H₁₁N₃O₃
  Fragment probability: 0.40
  Fragment mass: 181.21120000000002
  Fragment main chain atoms: [2, 23, 32, 22, 29, 28, 34, 31]
  Fragment all atoms: [2, 44, 45, 46, 23, 78, 30, 36, 33, 32, 22, 76, 77, 29, 81, 35, 85, 28, 80, 20, 73, 74, 24, 34, 31, 37]
  

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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