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

Submission ID: EPZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.68

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.19140000000004
  Fragment main chain atoms: [12, 19, 40, 9, 14, 16, 8, 67, 2, 21, 25, 28, 62, 71]
  Fragment all atoms: [12, 60, 19, 66, 41, 40, 9, 58, 5, 53, 54, 24, 69, 14, 16, 64, 38, 8, 67, 2, 48, 49, 50, 21, 25, 28, 62, 71]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [39, 17, 15, 13, 10]
  Fragment all atoms: [39, 17, 65, 23, 15, 63, 29, 72, 13, 61, 27, 70, 10, 59, 6, 55, 56, 37]
  

• C₃H₅O₃
  Fragment probability: 0.98
  Fragment mass: 89.0698
  Fragment main chain atoms: [18, 7, 1]
  Fragment all atoms: [18, 30, 31, 73, 7, 57, 38, 1, 45, 46, 47]
  

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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