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

Submission ID: AEP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.69
• Compound probability: 0.87

List of identified carbohydrate fragments:

• C₇H₁₁N₁O₄
  Fragment probability: 0.63
  Fragment mass: 239.16240000000005
  Fragment main chain atoms: [6, 2, 5, 15, 3, 4, 7]
  Fragment all atoms: [6, 9, 10, 27, 2, 19, 20, 5, 24, 8, 15, 3, 21, 22, 4, 23, 1, 16, 17, 18, 7, 11, 12, 28]
  

• C₄H₇O₂
  Fragment probability: 0.69
  Fragment mass: 87.0969
  Fragment main chain atoms: [7, 4, 1]
  Fragment all atoms: [7, 11, 12, 28, 4, 23, 3, 21, 22, 1, 16, 17, 18]
  

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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