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

Submission ID: ME8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.55

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [10, 11, 14, 28, 8]
  Fragment all atoms: [10, 45, 22, 52, 11, 46, 23, 53, 14, 47, 21, 28, 8, 44, 4, 39, 40, 27]
  

• C₄H₅N₁O₃
  Fragment probability: 0.61
  Fragment mass: 180.07559999999998
  Fragment main chain atoms: [4, 27, 30, 29, 15]
  Fragment all atoms: [4, 39, 40, 27, 30, 29, 15, 7, 43, 2, 35, 36, 16, 24]
  

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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