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

Submission ID: DLD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.85

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.19140000000004
  Fragment main chain atoms: [15, 12, 17, 33, 10, 16, 8, 60, 2, 27, 22, 30, 55, 65]
  Fragment all atoms: [15, 12, 52, 17, 57, 31, 33, 10, 50, 6, 47, 48, 25, 62, 16, 56, 34, 8, 60, 2, 38, 39, 40, 27, 22, 30, 55, 65]
  

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [14, 13, 9, 32, 18, 11, 7, 59, 1, 26, 21, 29, 54, 64, 28, 53, 63]
  Fragment all atoms: [14, 13, 9, 49, 5, 45, 46, 24, 61, 32, 18, 58, 34, 11, 51, 7, 59, 1, 35, 36, 37, 26, 21, 29, 54, 64, 28, 53, 63]
  

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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