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

Submission ID: 818
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₁₀H₁₂O₅
  Fragment probability: 1.00
  Fragment mass: 169.1543
  Fragment main chain atoms: [26, 20, 36, 39, 57, 43]
  Fragment all atoms: [26, 110, 5, 70, 71, 72, 20, 103, 104, 36, 119, 55, 39, 122, 35, 118, 19, 101, 102, 54, 57, 43, 40, 41, 49, 52, 126]
  

• C₈H₁₁O₁
  Fragment probability: 0.41
  Fragment mass: 126.10979999999998
  Fragment main chain atoms: [25, 38, 56]
  Fragment all atoms: [25, 4, 17, 67, 68, 69, 99, 28, 112, 38, 121, 27, 111, 6, 32, 73, 74, 75, 116, 56]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 69.0817
  Fragment main chain atoms: [4, 25]
  Fragment all atoms: [4, 67, 68, 69, 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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