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

Submission ID: PFX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.99
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 103.11939999999998
  Fragment main chain atoms: [6, 24, 7]
  Fragment all atoms: [6, 33, 34, 5, 31, 32, 17, 24, 7, 35, 36, 8, 37, 38, 25]
  

• C₆H₁₁N₁O₄
  Fragment probability: 0.73
  Fragment mass: 162.1633
  Fragment main chain atoms: [6, 24, 7, 8, 25, 10]
  Fragment all atoms: [6, 33, 34, 5, 31, 32, 17, 24, 7, 35, 36, 8, 37, 38, 25, 10, 41, 42, 14, 19, 18, 48]
  

• C₄H₇O₄
  Fragment probability: 0.99
  Fragment mass: 119.0957
  Fragment main chain atoms: [7, 8, 25, 10]
  Fragment all atoms: [7, 35, 36, 24, 8, 37, 38, 25, 10, 41, 42, 14, 19, 18, 48]
  

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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