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

Submission ID: I57
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.69

List of identified carbohydrate fragments:

• C₁₂H₁₆N₂O₅
  Fragment probability: 1.00
  Fragment mass: 255.24660000000003
  Fragment main chain atoms: [14, 8, 16, 32, 19, 17, 20, 54, 11, 29, 22]
  Fragment all atoms: [14, 49, 25, 8, 44, 16, 21, 31, 30, 58, 32, 19, 53, 18, 52, 15, 50, 28, 57, 17, 51, 20, 54, 11, 48, 1, 2, 33, 34, 35, 36, 37, 38, 29, 22]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [10, 15]
  Fragment all atoms: [10, 46, 47, 26, 55, 15, 50, 27, 56]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [10, 15, 18]
  Fragment all atoms: [10, 46, 47, 26, 55, 15, 50, 27, 56, 18, 52, 28, 57]
  

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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