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

Submission ID: JYP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₆H₉O₆
  Fragment probability: 1.00
  Fragment mass: 177.13170000000002
  Fragment main chain atoms: [8, 11, 10, 6, 35, 16, 51, 24, 62]
  Fragment all atoms: [8, 11, 54, 38, 10, 53, 37, 6, 50, 2, 45, 46, 23, 61, 35, 16, 57, 36, 51, 24, 62]
  

• C₅H₇N₁O₄
  Fragment probability: 1.00
  Fragment mass: 145.11310000000003
  Fragment main chain atoms: [9, 12, 15, 34, 5]
  Fragment all atoms: [9, 52, 36, 12, 55, 39, 15, 56, 21, 34, 5, 49, 1, 43, 44, 22, 60]
  

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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