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

Submission ID: 2WS
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₉O₅
  Fragment probability: 1.00
  Fragment mass: 149.12160000000003
  Fragment main chain atoms: [2, 24, 13, 10, 8, 5, 23, 44, 54, 20, 41, 51, 18, 39, 49]
  Fragment all atoms: [2, 31, 32, 24, 13, 10, 8, 5, 36, 27, 23, 44, 54, 20, 41, 51, 18, 39, 49]
  

• C₅H₈O₅
  Fragment probability: 1.00
  Fragment mass: 148.11370000000002
  Fragment main chain atoms: [3, 26, 15, 12, 9, 6, 43, 22, 53, 40, 19, 50]
  Fragment all atoms: [3, 33, 34, 26, 15, 46, 27, 12, 9, 6, 37, 28, 43, 22, 53, 40, 19, 50]
  

• C₅H₉O₅
  Fragment probability: 1.00
  Fragment mass: 149.12160000000003
  Fragment main chain atoms: [4, 7, 11, 14, 25, 1, 16, 35, 47, 38, 17, 48, 21, 42, 52]
  Fragment all atoms: [4, 7, 11, 14, 45, 28, 25, 1, 29, 30, 16, 35, 47, 38, 17, 48, 21, 42, 52]
  

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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