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

Submission ID: GTH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [10, 15, 12, 8, 31, 17, 6, 58, 2, 23, 20, 25, 50, 62]
  Fragment all atoms: [10, 48, 15, 53, 33, 12, 8, 46, 4, 42, 43, 22, 60, 31, 17, 54, 30, 6, 58, 2, 37, 38, 39, 23, 20, 25, 50, 62]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [14, 13, 11, 7, 32, 18, 27, 52, 64, 26, 51, 63, 24, 49, 61]
  Fragment all atoms: [14, 13, 11, 7, 45, 3, 40, 41, 21, 59, 32, 18, 55, 33, 27, 52, 64, 26, 51, 63, 24, 49, 61]
  

• C₄H₆N₁O₃
  Fragment probability: 0.67
  Fragment mass: 118.1109
  Fragment main chain atoms: [16, 9, 5, 1]
  Fragment all atoms: [16, 28, 29, 65, 9, 47, 19, 5, 44, 30, 1, 34, 35, 36]
  

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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