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

Submission ID: FHY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.97

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [18, 32, 9, 13, 14, 11, 7, 62, 1, 21, 24, 56, 26, 65, 57, 27, 66]
  Fragment all atoms: [18, 61, 34, 32, 9, 52, 5, 48, 49, 23, 64, 13, 14, 11, 54, 7, 62, 1, 36, 37, 38, 21, 24, 56, 26, 65, 57, 27, 66]
  

• C₈H₁₁N₁O₆
  Fragment probability: 1.00
  Fragment mass: 217.1756
  Fragment main chain atoms: [15, 10, 33, 17, 12, 16, 8, 63, 2, 25, 22]
  Fragment all atoms: [15, 58, 35, 10, 53, 6, 50, 51, 31, 33, 17, 60, 30, 12, 55, 16, 59, 34, 8, 63, 2, 39, 40, 41, 25, 22]
  

• C₈H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 189.14240000000004
  Fragment main chain atoms: [15, 35, 20, 31, 6, 10]
  Fragment all atoms: [15, 58, 16, 59, 12, 55, 34, 35, 20, 3, 19, 42, 43, 44, 28, 29, 67, 31, 6, 50, 51, 10, 53, 33]
  

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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