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

Submission ID: QUX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.35

List of identified carbohydrate fragments:

• C₈H₁₅O₅
  Fragment probability: 1.00
  Fragment mass: 177.17460000000005
  Fragment main chain atoms: [60, 46, 50, 51, 49, 45, 58, 153, 160, 154, 59, 161, 152, 57, 159]
  Fragment all atoms: [60, 46, 150, 42, 145, 146, 53, 156, 50, 51, 49, 45, 149, 41, 143, 144, 40, 141, 142, 58, 153, 160, 154, 59, 161, 152, 57, 159]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [44, 48]
  Fragment all atoms: [44, 148, 38, 137, 138, 36, 133, 134, 54, 157, 48, 151, 43, 147, 40, 141, 142, 52, 56, 158]
  

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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