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

Submission ID: PT3
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.88
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₇H₁₂N₁O₅
  Fragment probability: 0.73
  Fragment mass: 191.1813
  Fragment main chain atoms: [7, 5, 4, 6, 8, 3, 2, 1]
  Fragment all atoms: [7, 12, 13, 26, 5, 22, 10, 25, 4, 21, 9, 24, 6, 11, 8, 3, 19, 20, 2, 17, 18, 1, 14, 15, 16]
  

• C₄H₅N₁O₅
  Fragment probability: 0.75
  Fragment mass: 116.072
  Fragment main chain atoms: [7, 5, 4]
  Fragment all atoms: [7, 12, 13, 26, 5, 22, 10, 25, 4, 21, 6, 11, 8, 9, 24]
  

• C₂H₃O₃
  Fragment probability: 0.88
  Fragment mass: 88.06190000000001
  Fragment main chain atoms: [7, 5]
  Fragment all atoms: [7, 12, 13, 26, 5, 22, 10, 25]
  

• C₂H₂N₁O₂
  Fragment probability: 0.76
  Fragment mass: 71.0546
  Fragment main chain atoms: [4, 6]
  Fragment all atoms: [4, 21, 9, 24, 6, 11, 8]
  

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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