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

Submission ID: FA9
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.12100000000004
  Fragment main chain atoms: [60, 32, 29, 28, 24]
  Fragment all atoms: [60, 32, 94, 44, 29, 93, 51, 104, 28, 92, 50, 103, 24, 90, 13, 83, 84, 59]
  

• C₆H₁₂O₆
  Fragment probability: 1.00
  Fragment mass: 306.1006
  Fragment main chain atoms: [13, 59, 63, 61, 62, 58, 12, 23, 27]
  Fragment all atoms: [13, 83, 84, 59, 63, 61, 62, 58, 12, 81, 82, 23, 89, 47, 101, 27, 91, 22, 88, 11, 79, 80, 46, 100, 49, 102]
  

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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