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

Submission ID: 6BQ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₇H₁₂O₄
  Fragment probability: 1.00
  Fragment mass: 143.16
  Fragment main chain atoms: [27, 55, 34, 22, 42, 40]
  Fragment all atoms: [27, 120, 6, 78, 79, 80, 55, 34, 124, 59, 22, 114, 115, 42, 8, 84, 85, 86, 49, 134, 40, 130, 58]
  

• C₆H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 158.1317
  Fragment main chain atoms: [26, 56, 41, 39, 35, 36]
  Fragment all atoms: [26, 119, 5, 75, 76, 77, 56, 41, 131, 60, 39, 129, 61, 35, 125, 43, 36, 126, 59]
  

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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