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

Submission ID: F7E
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.55

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [8, 10, 14, 34, 5]
  Fragment all atoms: [8, 47, 23, 56, 10, 49, 25, 58, 14, 51, 21, 34, 5, 46, 2, 42, 43, 32]
  

• C₆H₉O₅
  Fragment probability: 1.00
  Fragment mass: 161.13230000000004
  Fragment main chain atoms: [7, 9, 11, 15, 33, 4, 24, 48, 57, 26, 50, 59]
  Fragment all atoms: [7, 22, 9, 11, 15, 52, 35, 33, 4, 45, 1, 39, 40, 41, 24, 48, 57, 26, 50, 59]
  

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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