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

Submission ID: GME
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.69
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₆N₁O₄
  Fragment probability: 0.64
  Fragment mass: 146.121
  Fragment main chain atoms: [5, 3, 2, 4, 6]
  Fragment all atoms: [5, 11, 8, 3, 17, 18, 2, 15, 16, 4, 19, 7, 6, 9, 10, 22]
  

• C₄H₇O₂
  Fragment probability: 0.69
  Fragment mass: 57.071
  Fragment main chain atoms: [5, 11, 1]
  Fragment all atoms: [5, 3, 17, 18, 2, 15, 16, 8, 11, 1, 13, 12, 14]
  

• C₆H₉N₁O₄
  Fragment probability: 0.65
  Fragment mass: 161.15540000000001
  Fragment main chain atoms: [6, 4, 2, 3, 5, 11, 1]
  Fragment all atoms: [6, 9, 10, 22, 4, 19, 7, 2, 15, 16, 3, 17, 18, 5, 8, 11, 1, 13, 12, 14]
  

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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