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

Submission ID: ENP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.55

List of identified carbohydrate fragments:

• C₅H₇N₁O₄
  Fragment probability: 1.00
  Fragment mass: 145.1131
  Fragment main chain atoms: [13, 11, 8, 36, 16]
  Fragment all atoms: [13, 56, 38, 11, 54, 24, 60, 8, 52, 4, 47, 48, 35, 36, 16, 57, 22]
  

• C₅H₉O₅
  Fragment probability: 1.00
  Fragment mass: 149.12160000000003
  Fragment main chain atoms: [10, 12, 17, 37, 7]
  Fragment all atoms: [10, 53, 23, 59, 12, 55, 25, 61, 17, 58, 26, 62, 37, 7, 51, 3, 45, 46, 34]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 262.0482
  Fragment main chain atoms: [3, 34, 41, 39, 42, 35, 4]
  Fragment all atoms: [3, 45, 46, 34, 41, 39, 42, 35, 4, 47, 48]
  

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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