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

Submission ID: 3GT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.61
• Compound probability: 0.21

List of identified carbohydrate fragments:

• C₅H₇N₁O₃
  Fragment probability: 0.59
  Fragment mass: 158.1548
  Fragment main chain atoms: [31, 20, 37, 21, 4]
  Fragment all atoms: [31, 41, 47, 20, 88, 3, 55, 56, 57, 37, 21, 39, 4, 58, 59, 60]
  

• C₄H₇N₁O₂
  Fragment probability: 0.61
  Fragment mass: 129.1137
  Fragment main chain atoms: [31, 20, 37, 6]
  Fragment all atoms: [31, 41, 47, 20, 88, 3, 55, 56, 57, 37, 6, 64, 65, 66]
  

• C₃H₆N₁O₁
  Fragment probability: 0.57
  Fragment mass: 99.11090000000002
  Fragment main chain atoms: [4, 21, 37, 6]
  Fragment all atoms: [4, 58, 59, 60, 21, 39, 37, 6, 64, 65, 66]
  

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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