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

Submission ID: KAG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.54

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [4, 8, 9, 27, 10]
  Fragment all atoms: [4, 35, 36, 8, 41, 21, 46, 9, 42, 5, 37, 38, 26, 27, 10, 43, 19]
  

• C₄H₇N₁O₁
  Fragment probability: 0.50
  Fragment mass: 86.11210000000001
  Fragment main chain atoms: [3, 2, 7, 1]
  Fragment all atoms: [3, 34, 20, 2, 32, 33, 7, 40, 16, 1, 29, 30, 31]
  

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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