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

Submission ID: JS2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₅H₉O₅
  Fragment probability: 1.00
  Fragment mass: 149.12160000000003
  Fragment main chain atoms: [9, 10, 13, 30, 7]
  Fragment all atoms: [9, 46, 20, 52, 10, 47, 21, 53, 13, 48, 23, 54, 30, 7, 45, 5, 42, 43, 29]
  

• C₄H₈O₃
  Fragment probability: 0.88
  Fragment mass: 247.05670000000006
  Fragment main chain atoms: [4, 28, 32, 31, 33, 29, 5]
  Fragment all atoms: [4, 40, 41, 2, 36, 37, 1, 34, 35, 28, 32, 31, 33, 29, 5, 42, 43]
  

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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