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

Submission ID: 7DC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.50
• Compound probability: 0.62

List of identified carbohydrate fragments:

• C₆H₉N₁O₂
  Fragment probability: 0.50
  Fragment mass: 94.0912
  Fragment main chain atoms: [18, 28, 43, 31]
  Fragment all atoms: [18, 83, 47, 28, 89, 19, 84, 1, 2, 53, 54, 55, 56, 57, 58, 43, 31, 50]
  

• C₁₃H₁₇N₅O₅
  Fragment probability: 0.44
  Fragment mass: 300.31019999999995
  Fragment main chain atoms: [17, 26, 32, 40, 21, 30, 42, 27, 33, 41, 20, 3]
  Fragment all atoms: [17, 81, 82, 46, 101, 26, 87, 35, 32, 51, 40, 21, 86, 4, 62, 63, 64, 30, 49, 42, 27, 88, 6, 67, 68, 5, 65, 66, 33, 52, 41, 20, 85, 29, 48, 39, 3, 59, 60, 61]
  

• C₆H₈N₃O₃
  Fragment probability: 0.47
  Fragment mass: 159.1627
  Fragment main chain atoms: [17, 26, 32, 40, 21, 4]
  Fragment all atoms: [17, 81, 82, 46, 101, 26, 87, 35, 32, 51, 40, 21, 86, 30, 49, 42, 4, 62, 63, 64]
  

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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