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

Submission ID: JHZ
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.57

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [4, 10, 11, 31, 12]
  Fragment all atoms: [4, 45, 46, 10, 53, 21, 60, 11, 54, 7, 50, 51, 29, 31, 12, 55, 20]
  

• C₇H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 142.15210000000002
  Fragment main chain atoms: [5, 17, 14, 9, 30, 13]
  Fragment all atoms: [5, 47, 48, 17, 3, 42, 43, 44, 18, 14, 22, 9, 52, 2, 39, 40, 41, 30, 13, 56, 32]
  

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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