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

Submission ID: 31J
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.75
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₅H₈O₂
  Fragment probability: 0.60
  Fragment mass: 88.10479999999998
  Fragment main chain atoms: [6, 22, 8, 7]
  Fragment all atoms: [6, 38, 39, 5, 36, 37, 12, 22, 8, 42, 43, 7, 40, 41, 20]
  

• C₆H₁₁O₂
  Fragment probability: 0.62
  Fragment mass: 103.13919999999999
  Fragment main chain atoms: [6, 22, 8, 7, 20, 3]
  Fragment all atoms: [6, 38, 39, 5, 36, 37, 12, 22, 8, 42, 43, 7, 40, 41, 20, 3, 30, 31, 32]
  

• C₃H₇O₂
  Fragment probability: 0.75
  Fragment mass: 75.0862
  Fragment main chain atoms: [7, 20, 3]
  Fragment all atoms: [7, 40, 41, 8, 42, 43, 22, 20, 3, 30, 31, 32]
  

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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