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

Submission ID: 8LE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.62

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [8, 9, 12, 27, 6]
  Fragment all atoms: [8, 41, 20, 46, 9, 42, 21, 47, 12, 43, 19, 27, 6, 40, 3, 36, 37, 26]
  

• C₅H₉O₄
  Fragment probability: 0.85
  Fragment mass: 180.05249999999998
  Fragment main chain atoms: [3, 26, 29, 28, 13]
  Fragment all atoms: [3, 36, 37, 26, 29, 28, 13, 14, 1, 2, 30, 31, 32, 33, 34, 35, 23, 48, 22]
  

• C₄H₇O₃
  Fragment probability: 0.81
  Fragment mass: 86.08900000000001
  Fragment main chain atoms: [13, 14, 1]
  Fragment all atoms: [13, 22, 28, 14, 2, 33, 34, 35, 23, 48, 1, 30, 31, 32]
  

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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