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

Submission ID: SAJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [9, 12, 14, 35, 6]
  Fragment all atoms: [9, 50, 23, 59, 12, 53, 26, 62, 14, 55, 20, 35, 6, 48, 4, 46, 47, 34]
  

• C₈H₁₂N₁O₇
  Fragment probability: 1.00
  Fragment mass: 234.18290000000005
  Fragment main chain atoms: [10, 11, 13, 36, 16, 8, 5, 57, 1, 18, 21, 24, 51, 60, 25, 52, 61]
  Fragment all atoms: [10, 11, 13, 54, 15, 27, 28, 63, 36, 16, 56, 37, 8, 49, 5, 57, 1, 41, 42, 43, 18, 21, 24, 51, 60, 25, 52, 61]
  

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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