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

Submission ID: 7A2
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.96
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₆H₈O₈
  Fragment probability: 0.85
  Fragment mass: 191.11530000000005
  Fragment main chain atoms: [2, 1, 6, 3, 4]
  Fragment all atoms: [2, 7, 8, 18, 1, 15, 16, 6, 5, 12, 13, 21, 14, 22, 3, 17, 9, 19, 4, 10, 11, 20]
  

• C₆H₇O₆
  Fragment probability: 0.96
  Fragment mass: 146.0979
  Fragment main chain atoms: [2, 1, 6, 5]
  Fragment all atoms: [2, 7, 8, 18, 1, 15, 16, 6, 3, 17, 4, 9, 19, 14, 22, 5, 12, 13, 21]
  

• C₄H₅O₅
  Fragment probability: 0.83
  Fragment mass: 129.0906
  Fragment main chain atoms: [2, 1, 6]
  Fragment all atoms: [2, 7, 8, 18, 1, 15, 16, 6, 5, 12, 13, 21, 14, 22]
  

• C₆H₇O₆
  Fragment probability: 0.96
  Fragment mass: 146.0979
  Fragment main chain atoms: [4, 3, 6, 5]
  Fragment all atoms: [4, 10, 11, 20, 3, 17, 9, 19, 6, 1, 15, 16, 2, 14, 22, 5, 12, 13, 21]
  

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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