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

Submission ID: PAN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.69

List of identified carbohydrate fragments:

• C₅H₈N₁O₅
  Fragment probability: 0.89
  Fragment mass: 148.11370000000002
  Fragment main chain atoms: [1, 2, 3, 4, 5]
  Fragment all atoms: [1, 17, 18, 15, 2, 19, 7, 23, 3, 20, 8, 24, 4, 21, 9, 25, 5, 10, 6]
  

• C₃H₆O₃
  Fragment probability: 1.00
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [1, 2, 3]
  Fragment all atoms: [1, 17, 18, 15, 2, 19, 7, 23, 3, 20, 8, 24]
  

• C₅H₈N₁O₄
  Fragment probability: 0.73
  Fragment mass: 101.08050000000001
  Fragment main chain atoms: [5, 4, 3]
  Fragment all atoms: [5, 10, 6, 4, 21, 9, 25, 3, 20, 2, 19, 1, 17, 18, 7, 23, 8, 24]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [5, 4]
  Fragment all atoms: [5, 10, 6, 4, 21, 9, 25]
  

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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