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

Submission ID: YLP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.47

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [34, 18, 15, 14, 11]
  Fragment all atoms: [34, 18, 58, 26, 15, 57, 29, 65, 14, 56, 28, 64, 11, 55, 7, 50, 51, 33]
  

• C₄H₅N₁O₃
  Fragment probability: 0.61
  Fragment mass: 180.07559999999998
  Fragment main chain atoms: [7, 33, 36, 35, 19]
  Fragment all atoms: [7, 50, 51, 33, 36, 35, 19, 10, 54, 5, 46, 47, 20, 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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