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

Submission ID: EDS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 159.1627
  Fragment main chain atoms: [17, 19, 14, 9, 15, 20]
  Fragment all atoms: [17, 69, 34, 87, 19, 71, 40, 14, 66, 28, 9, 59, 60, 15, 67, 31, 20, 72, 41]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [11, 38, 24, 18, 21, 25, 35, 70, 88]
  Fragment all atoms: [11, 63, 64, 38, 24, 75, 41, 18, 21, 73, 29, 25, 1, 42, 43, 44, 37, 89, 35, 70, 88]
  

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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