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

Submission ID: GHA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.80

List of identified carbohydrate fragments:

• C₅H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [2, 7, 9, 5, 10]
  Fragment all atoms: [2, 23, 24, 7, 31, 14, 37, 9, 33, 15, 38, 5, 29, 3, 25, 26, 11, 34, 10]
  

• C₄H₈N₁O₃
  Fragment probability: 0.78
  Fragment mass: 101.1036
  Fragment main chain atoms: [4, 8, 6]
  Fragment all atoms: [4, 27, 28, 12, 35, 8, 32, 19, 6, 30, 1, 21, 22, 10, 13, 36]
  

• C₂H₄O₂
  Fragment probability: 1.00
  Fragment mass: 74.0783
  Fragment main chain atoms: [4, 8]
  Fragment all atoms: [4, 27, 28, 12, 35, 8, 32, 19]
  

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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