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

Submission ID: DM4
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.49

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 146.1639
  Fragment main chain atoms: [36, 18, 6, 14, 22, 10, 31, 57, 62]
  Fragment all atoms: [36, 18, 56, 37, 6, 45, 46, 14, 54, 27, 22, 10, 53, 1, 38, 39, 40, 31, 57, 62]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 72.0625
  Fragment main chain atoms: [9, 17]
  Fragment all atoms: [9, 51, 52, 28, 60, 17, 26, 8, 7, 49, 50, 47, 48, 35, 64, 30]
  

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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