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

Submission ID: H3S
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.74

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 177.15480000000005
  Fragment main chain atoms: [5, 26, 11, 6, 7, 9, 19, 41, 47, 16, 38, 46]
  Fragment all atoms: [5, 36, 2, 33, 34, 14, 44, 26, 11, 6, 37, 13, 7, 9, 40, 28, 19, 41, 47, 16, 38, 46]
  

• C₆H₅O₆
  Fragment probability: 1.00
  Fragment mass: 173.10010000000003
  Fragment main chain atoms: [3, 8, 12, 27, 4, 1, 15, 35, 45]
  Fragment all atoms: [3, 8, 39, 29, 12, 42, 28, 27, 4, 10, 17, 18, 1, 32, 15, 35, 45]
  

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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