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

Submission ID: TAD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.49

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [12, 14, 20, 40, 9]
  Fragment all atoms: [12, 56, 29, 66, 14, 58, 31, 68, 20, 60, 27, 40, 9, 54, 2, 46, 47, 38]
  

• C₆H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 158.1317
  Fragment main chain atoms: [11, 13, 15, 39, 8]
  Fragment all atoms: [11, 55, 28, 65, 13, 57, 30, 67, 15, 59, 19, 26, 39, 8, 53, 1, 44, 45, 37]
  

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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