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

Submission ID: SAE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.56

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [11, 13, 19, 39, 8]
  Fragment all atoms: [11, 54, 28, 64, 13, 56, 30, 66, 19, 58, 26, 39, 8, 52, 2, 46, 47, 37]
  

• C₆H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 158.1317
  Fragment main chain atoms: [10, 12, 14, 38, 7]
  Fragment all atoms: [10, 53, 27, 63, 12, 55, 29, 65, 14, 57, 18, 25, 38, 7, 51, 1, 44, 45, 36]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 262.0482
  Fragment main chain atoms: [1, 36, 41, 40, 42, 37, 2]
  Fragment all atoms: [1, 44, 45, 36, 41, 40, 42, 37, 2, 46, 47]
  

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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