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

Submission ID: U21
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.49

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.19140000000004
  Fragment main chain atoms: [20, 26, 46, 16, 22, 24, 14, 88, 2, 28, 32, 37, 83, 93]
  Fragment all atoms: [20, 81, 26, 87, 48, 46, 16, 79, 12, 74, 75, 31, 90, 22, 24, 85, 47, 14, 88, 2, 55, 56, 57, 28, 32, 37, 83, 93]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [21, 23, 25, 45, 17]
  Fragment all atoms: [21, 82, 36, 92, 23, 84, 38, 94, 25, 86, 30, 45, 17, 80, 13, 76, 77, 44]
  

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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