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

Submission ID: 660
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.61

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [14, 11, 7, 33, 15]
  Fragment all atoms: [14, 52, 25, 60, 11, 49, 22, 57, 7, 46, 4, 41, 42, 31, 33, 15, 53, 18]
  

• C₇H₁₃O₅
  Fragment probability: 1.00
  Fragment mass: 177.17460000000005
  Fragment main chain atoms: [12, 13, 10, 6, 32, 8, 23, 50, 58, 24, 51, 59, 21, 48, 56]
  Fragment all atoms: [12, 13, 10, 6, 45, 3, 39, 40, 19, 55, 32, 8, 47, 5, 43, 44, 23, 50, 58, 24, 51, 59, 21, 48, 56]
  

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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