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

Submission ID: DXL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.97
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₈O₇
  Fragment probability: 0.90
  Fragment mass: 180.11250000000007
  Fragment main chain atoms: [4, 2, 1, 3, 5]
  Fragment all atoms: [4, 9, 10, 19, 2, 14, 7, 17, 1, 13, 6, 16, 3, 15, 8, 18, 5, 11, 12, 20]
  

• C₃H₅O₄
  Fragment probability: 0.91
  Fragment mass: 118.08780000000002
  Fragment main chain atoms: [4, 2, 1]
  Fragment all atoms: [4, 9, 10, 19, 2, 14, 7, 17, 1, 13, 6, 16]
  

• C₂H₃O₃
  Fragment probability: 0.88
  Fragment mass: 88.06190000000001
  Fragment main chain atoms: [4, 2]
  Fragment all atoms: [4, 9, 10, 19, 2, 14, 7, 17]
  

• C₅H₇O₅
  Fragment probability: 0.97
  Fragment mass: 118.08780000000002
  Fragment main chain atoms: [5, 3, 1]
  Fragment all atoms: [5, 11, 12, 20, 3, 15, 8, 18, 1, 13, 2, 14, 4, 7, 17, 6, 16]
  

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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