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

Submission ID: EUS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.60

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [8, 31, 19, 14, 17, 20, 27, 58, 73]
  Fragment all atoms: [8, 52, 53, 31, 19, 63, 34, 14, 17, 61, 24, 20, 1, 36, 37, 38, 28, 74, 27, 58, 73]
  

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 159.1627
  Fragment main chain atoms: [12, 6, 11, 15, 13, 16]
  Fragment all atoms: [12, 56, 25, 6, 48, 49, 11, 55, 23, 15, 59, 33, 13, 57, 26, 72, 16, 60, 34]
  

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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