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

Submission ID: ZZ9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.46

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [17, 18, 21, 33, 14]
  Fragment all atoms: [17, 63, 28, 69, 18, 64, 29, 70, 21, 65, 26, 33, 14, 61, 11, 57, 58, 32]
  

• C₄H₈O₃
  Fragment probability: 0.88
  Fragment mass: 166.06889999999999
  Fragment main chain atoms: [11, 32, 35, 34, 15]
  Fragment all atoms: [11, 57, 58, 32, 35, 34, 15, 62, 10, 55, 56, 9, 53, 54, 27, 68]
  

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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