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

Submission ID: CBS
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: [13, 14, 8, 27, 15, 9, 5, 50, 1, 17, 21, 25, 46, 56, 26, 48, 57]
  Fragment all atoms: [13, 14, 47, 29, 8, 41, 4, 38, 39, 20, 53, 27, 15, 9, 42, 5, 50, 1, 30, 31, 32, 17, 21, 25, 46, 56, 26, 48, 57]
  

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [10, 12, 11, 7, 28, 16, 6, 51, 2, 18, 22, 24, 45, 55, 23, 44, 54]
  Fragment all atoms: [10, 43, 12, 11, 7, 40, 3, 36, 37, 19, 52, 28, 16, 49, 29, 6, 51, 2, 33, 34, 35, 18, 22, 24, 45, 55, 23, 44, 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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