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

Submission ID: XAM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₄
  Fragment probability: 1.00
  Fragment mass: 157.16670000000002
  Fragment main chain atoms: [15, 44, 39, 21, 60, 26, 54, 116, 123]
  Fragment all atoms: [15, 100, 101, 44, 22, 106, 8, 85, 86, 87, 49, 58, 124, 39, 21, 105, 7, 82, 83, 84, 60, 26, 109, 63, 54, 116, 123]
  

• C₆H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 158.1317
  Fragment main chain atoms: [38, 37, 36, 20, 61, 42]
  Fragment all atoms: [38, 115, 59, 37, 114, 62, 36, 113, 64, 20, 104, 6, 79, 80, 81, 61, 42, 117, 50]
  

• C₆H₈N₁O₂
  Fragment probability: 0.46
  Fragment mass: 111.1216
  Fragment main chain atoms: [8, 22, 49, 40]
  Fragment all atoms: [8, 85, 86, 87, 22, 106, 44, 15, 39, 100, 101, 116, 58, 124, 49, 40, 55]
  

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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