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

Submission ID: AYL
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [32, 19, 16, 15, 13]
  Fragment all atoms: [32, 19, 51, 24, 16, 50, 27, 56, 15, 49, 26, 55, 13, 48, 8, 44, 45, 31]
  

• C₄H₈O₂
  Fragment probability: 0.75
  Fragment mass: 167.07680000000002
  Fragment main chain atoms: [7, 30, 33, 31, 8]
  Fragment all atoms: [7, 42, 43, 1, 34, 35, 2, 36, 37, 30, 33, 31, 8, 44, 45]
  

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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