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

Submission ID: 4UU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [15, 16, 19, 32, 12]
  Fragment all atoms: [15, 47, 27, 52, 16, 48, 28, 53, 19, 49, 24, 32, 12, 46, 7, 42, 43, 31]
  

• C₂H₂O₃
  Fragment probability: 0.80
  Fragment mass: 164.05309999999997
  Fragment main chain atoms: [7, 31, 34, 33, 13]
  Fragment all atoms: [7, 42, 43, 31, 34, 33, 13, 26]
  

• C₃H₂O₂
  Fragment probability: 0.50
  Fragment mass: 82.05740000000002
  Fragment main chain atoms: [13, 6, 3]
  Fragment all atoms: [13, 33, 26, 6, 41, 3, 37]
  

• C₄H₂O₂
  Fragment probability: 0.38
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [13, 6]
  Fragment all atoms: [13, 33, 26, 6, 41, 3, 37, 10]
  

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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