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

Submission ID: LW2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.75

List of identified carbohydrate fragments:

• C₃H₅O₂
  Fragment probability: 0.75
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [1, 5, 7]
  Fragment all atoms: [1, 13, 14, 15, 5, 9, 7, 19, 10, 21]
  

• C₆H₈O₃
  Fragment probability: 0.58
  Fragment mass: 98.09970000000001
  Fragment main chain atoms: [1, 5, 7, 8]
  Fragment all atoms: [1, 13, 14, 15, 5, 9, 7, 19, 10, 21, 8, 20, 6, 3, 17, 11, 22]
  

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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