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

Submission ID: OEL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.88

List of identified carbohydrate fragments:

• C₁₂H₁₅N₂O₅
  Fragment probability: 1.00
  Fragment mass: 254.23869999999997
  Fragment main chain atoms: [7, 6, 10, 25, 11, 8, 12, 42, 4, 22, 16]
  Fragment all atoms: [7, 37, 17, 6, 36, 10, 39, 13, 24, 23, 45, 25, 11, 40, 9, 5, 35, 21, 8, 38, 12, 42, 4, 34, 2, 1, 29, 30, 31, 26, 27, 28, 22, 16]
  

• C₃H₅O₃
  Fragment probability: 0.98
  Fragment mass: 102.08840000000001
  Fragment main chain atoms: [3, 5, 9]
  Fragment all atoms: [3, 32, 33, 19, 43, 5, 35, 20, 44, 9, 21]
  

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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