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

Submission ID: TNY
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: [8, 10, 9, 6, 22, 12, 5, 40, 2, 16, 14, 18, 36, 43, 17, 35, 42]
  Fragment all atoms: [8, 34, 10, 9, 6, 32, 3, 29, 30, 15, 41, 22, 12, 37, 21, 5, 40, 2, 26, 27, 28, 16, 14, 18, 36, 43, 17, 35, 42]
  

• C₄H₆N₁O₃
  Fragment probability: 0.67
  Fragment mass: 118.1109
  Fragment main chain atoms: [11, 7, 4, 1]
  Fragment all atoms: [11, 19, 20, 44, 7, 33, 13, 4, 31, 21, 1, 23, 24, 25]
  

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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