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

Submission ID: KD2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.78

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [10, 13, 14, 7, 32, 15, 6, 59, 2, 21, 18, 24, 54, 63]
  Fragment all atoms: [10, 51, 13, 14, 55, 34, 7, 48, 3, 44, 45, 19, 60, 32, 15, 56, 31, 6, 59, 2, 41, 42, 43, 21, 18, 24, 54, 63]
  

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.19140000000002
  Fragment main chain atoms: [12, 11, 8, 33, 16, 9, 5, 58, 1, 17, 20, 23, 53, 62, 52, 22, 61]
  Fragment all atoms: [12, 11, 8, 49, 4, 46, 47, 31, 33, 16, 57, 35, 9, 50, 5, 58, 1, 38, 39, 40, 17, 20, 23, 53, 62, 52, 22, 61]
  

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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