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

Submission ID: LG9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₃
  Fragment probability: 1.00
  Fragment mass: 172.18130000000005
  Fragment main chain atoms: [5, 8, 9, 7, 10]
  Fragment all atoms: [5, 23, 3, 20, 21, 12, 29, 8, 26, 14, 31, 9, 27, 15, 32, 7, 25, 4, 22, 2, 6, 18, 19, 24, 10]
  

• C₇H₁₂N₁O₃
  Fragment probability: 1.00
  Fragment mass: 172.18130000000002
  Fragment main chain atoms: [6, 4, 7, 10, 1]
  Fragment all atoms: [6, 24, 13, 30, 4, 22, 2, 18, 19, 11, 28, 7, 25, 9, 27, 8, 26, 15, 32, 10, 1, 16, 17]
  

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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