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

Submission ID: GPE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 0.85

List of identified carbohydrate fragments:

• C₅H₁₁N₁O₄
  Fragment probability: 0.77
  Fragment mass: 215.14100000000005
  Fragment main chain atoms: [2, 11, 13, 12, 4, 5, 3]
  Fragment all atoms: [2, 16, 17, 1, 14, 15, 6, 11, 13, 12, 4, 20, 21, 5, 22, 8, 26, 3, 18, 19, 7, 25]
  

• C₃H₆N₁O₂
  Fragment probability: 0.71
  Fragment mass: 184.1072
  Fragment main chain atoms: [2, 11, 13, 12, 4]
  Fragment all atoms: [2, 16, 17, 1, 14, 15, 6, 11, 13, 12, 4, 20, 21]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 91.0856
  Fragment main chain atoms: [3, 5, 4]
  Fragment all atoms: [3, 18, 19, 7, 25, 5, 22, 8, 26, 4, 20, 21, 12]
  

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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