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

Submission ID: TGT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.73

List of identified carbohydrate fragments:

• C₉H₈N₁O₆
  Fragment probability: 1.00
  Fragment mass: 216.16770000000005
  Fragment main chain atoms: [4, 6, 10, 23, 7, 5]
  Fragment all atoms: [4, 32, 12, 6, 34, 24, 10, 2, 9, 30, 31, 16, 17, 40, 23, 7, 35, 11, 8, 18, 41, 5, 33, 22]
  

• C₉H₈N₁O₇
  Fragment probability: 1.00
  Fragment mass: 214.19500000000002
  Fragment main chain atoms: [11, 26, 2, 10, 23, 7]
  Fragment all atoms: [11, 8, 15, 13, 18, 41, 26, 2, 30, 31, 10, 6, 9, 34, 4, 32, 24, 16, 17, 40, 23, 7, 35, 5, 33, 22]
  

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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