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

Submission ID: FKP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₁₆H₂₅O₆
  Fragment probability: 1.00
  Fragment mass: 191.2028
  Fragment main chain atoms: [25, 23, 24, 28, 30, 29]
  Fragment all atoms: [25, 86, 38, 23, 84, 36, 88, 24, 85, 26, 13, 2, 3, 69, 70, 42, 43, 44, 45, 46, 47, 28, 20, 5, 83, 12, 67, 68, 33, 87, 51, 52, 53, 30, 21, 19, 81, 82, 34, 37, 89, 29, 6, 54, 55, 56, 39]
  

• C₁₅H₁₉O₄
  Fragment probability: 1.00
  Fragment mass: 162.1848
  Fragment main chain atoms: [19, 21, 30, 29, 39, 27]
  Fragment all atoms: [19, 81, 82, 21, 34, 30, 28, 20, 24, 5, 83, 85, 51, 52, 53, 37, 89, 29, 25, 6, 86, 23, 84, 38, 54, 55, 56, 39, 27, 4, 8, 48, 49, 50, 60, 1, 40, 41]
  

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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