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

Submission ID: GMT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [10, 9, 6, 23, 12, 8, 4, 37, 1, 13, 15, 35, 19, 41, 18, 34, 40]
  Fragment all atoms: [10, 9, 6, 32, 3, 29, 30, 14, 38, 23, 12, 36, 22, 8, 33, 4, 37, 1, 24, 25, 26, 13, 15, 35, 19, 41, 18, 34, 40]
  

• C₄H₅O₅
  Fragment probability: 0.83
  Fragment mass: 133.0793
  Fragment main chain atoms: [7, 2, 5, 11]
  Fragment all atoms: [7, 17, 16, 39, 2, 27, 28, 5, 31, 22, 11, 20, 21, 42]
  

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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