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

Submission ID: GMK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₁₂H₁₄N₁O₅
  Fragment probability: 1.00
  Fragment mass: 227.21340000000004
  Fragment main chain atoms: [23, 27, 43, 17, 21, 19, 25, 76, 13, 29, 36, 35, 72, 82, 33, 70, 80]
  Fragment all atoms: [23, 27, 74, 43, 17, 66, 11, 62, 63, 31, 78, 21, 19, 68, 25, 76, 13, 5, 9, 56, 3, 54, 60, 15, 29, 36, 35, 72, 82, 33, 70, 80]
  

• C₁₂H₁₃N₁O₅
  Fragment probability: 1.00
  Fragment mass: 226.2055
  Fragment main chain atoms: [24, 20, 22, 18, 44, 28, 26, 77, 14, 30, 37, 34, 71, 81]
  Fragment all atoms: [24, 73, 45, 20, 69, 22, 18, 67, 12, 64, 65, 32, 79, 44, 28, 75, 26, 77, 14, 6, 10, 57, 4, 55, 61, 16, 30, 37, 34, 71, 81]
  

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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