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

Submission ID: AE5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.68
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₁N₂O₆
  Fragment probability: 0.64
  Fragment mass: 234.20600000000007
  Fragment main chain atoms: [6, 2, 1, 5, 10, 3, 4, 7]
  Fragment all atoms: [6, 11, 12, 28, 2, 19, 20, 1, 17, 18, 5, 24, 8, 15, 16, 30, 10, 3, 21, 22, 4, 23, 9, 7, 13, 14, 29]
  

• C₅H₇N₁O₄
  Fragment probability: 0.68
  Fragment mass: 146.121
  Fragment main chain atoms: [6, 2, 1, 5, 8]
  Fragment all atoms: [6, 11, 12, 28, 2, 19, 20, 1, 17, 18, 5, 24, 10, 8, 15, 16, 30]
  

• C₇H₁₀N₂O₄
  Fragment probability: 0.56
  Fragment mass: 175.1621
  Fragment main chain atoms: [7, 4, 3, 10, 5, 8]
  Fragment all atoms: [7, 13, 14, 29, 4, 23, 9, 3, 21, 22, 10, 5, 24, 1, 17, 18, 2, 19, 20, 8, 15, 16, 30]
  

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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