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

Submission ID: NOD
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:

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 145.15600000000003
  Fragment main chain atoms: [41, 19, 8, 15, 24, 12, 34, 68, 72]
  Fragment all atoms: [41, 19, 67, 42, 8, 56, 57, 15, 65, 30, 24, 12, 64, 1, 43, 44, 45, 34, 68, 72]
  

• C₅H₈O₃
  Fragment probability: 0.70
  Fragment mass: 72.0625
  Fragment main chain atoms: [11, 18]
  Fragment all atoms: [11, 62, 63, 32, 71, 18, 29, 10, 9, 60, 61, 58, 59, 39, 75, 33]
  

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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