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

Submission ID: CZJ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.62

List of identified carbohydrate fragments:

• C₇H₁₁O₅
  Fragment probability: 1.00
  Fragment mass: 175.15880000000004
  Fragment main chain atoms: [21, 23, 24, 29, 42, 26, 72, 34, 80]
  Fragment all atoms: [21, 23, 73, 41, 24, 74, 38, 29, 3, 2, 49, 50, 51, 46, 47, 48, 42, 26, 75, 39, 72, 34, 80]
  

• C₁₀H₆N₁O₃
  Fragment probability: 1.00
  Fragment mass: 149.1035
  Fragment main chain atoms: [17, 20, 19, 25, 40, 22]
  Fragment all atoms: [17, 5, 55, 6, 56, 20, 33, 79, 19, 32, 25, 35, 40, 22, 13, 1, 18, 43, 44, 45]
  

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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