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

Submission ID: PVX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₇H₅N₁O₃
  Fragment probability: 1.00
  Fragment mass: 127.09790000000001
  Fragment main chain atoms: [20, 24, 47, 26, 18]
  Fragment all atoms: [20, 64, 36, 72, 24, 65, 32, 47, 26, 66, 45, 18, 63, 17, 12, 21]
  

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 131.1295
  Fragment main chain atoms: [4, 10, 13, 44, 14]
  Fragment all atoms: [4, 54, 55, 10, 60, 35, 71, 13, 61, 6, 57, 58, 43, 44, 14, 62, 29]
  

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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