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

Submission ID: ZGE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.83

List of identified carbohydrate fragments:

• C₁₀H₁₁N₂O₅
  Fragment probability: 1.00
  Fragment mass: 227.19360000000003
  Fragment main chain atoms: [6, 5, 9, 24, 10, 7, 3, 38, 1, 19, 16]
  Fragment all atoms: [6, 31, 17, 5, 9, 11, 22, 23, 43, 24, 10, 34, 8, 33, 4, 30, 21, 42, 7, 32, 3, 38, 1, 25, 26, 27, 19, 16]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [2, 4]
  Fragment all atoms: [2, 28, 29, 18, 40, 4, 30, 20, 41]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [2, 4, 8]
  Fragment all atoms: [2, 28, 29, 18, 40, 4, 30, 20, 41, 8, 33, 21, 42]
  

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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