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

Submission ID: ZIL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.48
• Compound probability: 0.81

List of identified carbohydrate fragments:

• C₁₄H₁₆N₂O₅
  Fragment probability: 0.43
  Fragment mass: 226.18570000000005
  Fragment main chain atoms: [12, 27, 20, 22, 17, 18, 21, 16, 19]
  Fragment all atoms: [12, 49, 50, 15, 9, 10, 45, 46, 27, 20, 26, 22, 17, 54, 14, 52, 4, 5, 37, 38, 39, 40, 41, 18, 23, 21, 16, 53, 11, 47, 48, 13, 51, 19, 25, 24, 57]
  

• C₁₀H₁₅N₂O₃
  Fragment probability: 0.48
  Fragment mass: 185.19989999999999
  Fragment main chain atoms: [19, 16, 21, 18, 17, 14, 4]
  Fragment all atoms: [19, 25, 24, 57, 16, 53, 11, 47, 48, 13, 51, 21, 18, 23, 17, 54, 22, 14, 52, 5, 40, 41, 1, 28, 29, 30, 4, 37, 38, 39]
  

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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