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

Submission ID: 3J2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₁₄H₁₄O₄
  Fragment probability: 1.00
  Fragment mass: 240.2089
  Fragment main chain atoms: [14, 19, 15, 13, 16, 18]
  Fragment all atoms: [14, 44, 12, 42, 10, 41, 26, 19, 4, 17, 36, 37, 38, 23, 15, 45, 22, 48, 13, 43, 25, 16, 46, 18, 7, 3, 5, 9, 39, 33, 34, 35]
  

• C₁₃H₁₄O₄
  Fragment probability: 1.00
  Fragment mass: 169.1543
  Fragment main chain atoms: [14, 12, 26, 17, 19]
  Fragment all atoms: [14, 44, 18, 7, 16, 3, 46, 33, 34, 35, 12, 42, 10, 41, 9, 21, 47, 26, 17, 23, 19, 4, 15, 36, 37, 38, 45, 13, 43, 22, 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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