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

Submission ID: 4TG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [3, 9, 10, 33, 11]
  Fragment all atoms: [3, 44, 45, 9, 51, 22, 60, 10, 52, 5, 47, 48, 31, 33, 11, 53, 20]
  

• C₇H₁₂N₁O₅
  Fragment probability: 1.00
  Fragment mass: 190.17340000000007
  Fragment main chain atoms: [14, 13, 12, 8, 32, 16, 6, 58, 18, 49, 21, 24, 56, 62, 23, 55, 61]
  Fragment all atoms: [14, 13, 12, 54, 8, 50, 2, 41, 42, 43, 32, 16, 57, 34, 6, 58, 18, 49, 21, 24, 56, 62, 23, 55, 61]
  

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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