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

Submission ID: AS5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [11, 14, 13, 9, 27, 16, 7, 51, 2, 18, 22, 25, 47, 56, 24, 46, 55]
  Fragment all atoms: [11, 44, 14, 13, 9, 42, 3, 35, 36, 19, 52, 27, 16, 49, 28, 7, 51, 2, 32, 33, 34, 18, 22, 25, 47, 56, 24, 46, 55]
  

• C₈H₁₄N₁O₅
  Fragment probability: 1.00
  Fragment mass: 204.1999
  Fragment main chain atoms: [5, 26, 10, 15, 12, 8, 6, 50, 1, 21, 17, 23, 45, 54]
  Fragment all atoms: [5, 39, 40, 26, 10, 43, 4, 37, 38, 20, 53, 15, 48, 28, 12, 8, 41, 6, 50, 1, 29, 30, 31, 21, 17, 23, 45, 54]
  

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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