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

Submission ID: B1Z
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.17

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [52, 53, 41, 87, 57]
  Fragment all atoms: [52, 160, 84, 178, 53, 161, 89, 41, 159, 27, 151, 152, 76, 177, 87, 57, 163, 75]
  

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.12160000000003
  Fragment main chain atoms: [197, 189, 186, 185, 183]
  Fragment all atoms: [197, 189, 205, 194, 186, 204, 196, 209, 185, 203, 195, 208, 183, 202, 180, 198, 199]
  

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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