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

Submission ID: ASL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.98
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₈O₄
  Fragment probability: 0.67
  Fragment mass: 115.107
  Fragment main chain atoms: [5, 14, 3, 6]
  Fragment all atoms: [5, 2, 18, 19, 4, 21, 9, 14, 3, 20, 1, 15, 16, 17, 6, 10, 11, 24]
  

• C₄H₄N₁O₄
  Fragment probability: 0.84
  Fragment mass: 132.0945
  Fragment main chain atoms: [5, 2, 4, 7]
  Fragment all atoms: [5, 9, 14, 2, 18, 19, 4, 21, 8, 7, 13, 12, 25]
  

• C₇H₉N₁O₆
  Fragment probability: 0.70
  Fragment mass: 205.16490000000005
  Fragment main chain atoms: [6, 3, 14, 5, 2, 4, 7]
  Fragment all atoms: [6, 10, 11, 24, 3, 20, 1, 15, 16, 17, 14, 5, 9, 2, 18, 19, 4, 21, 8, 7, 13, 12, 25]
  

• C₃H₅O₃
  Fragment probability: 0.98
  Fragment mass: 89.0698
  Fragment main chain atoms: [6, 3, 1]
  Fragment all atoms: [6, 10, 11, 24, 3, 20, 14, 1, 15, 16, 17]
  

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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