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

Submission ID: THX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.19

List of identified carbohydrate fragments:

• C₅H₈N₁O₃
  Fragment probability: 1.00
  Fragment mass: 130.1216
  Fragment main chain atoms: [23, 42, 43, 72, 44]
  Fragment all atoms: [23, 110, 111, 42, 115, 61, 125, 43, 116, 25, 113, 114, 71, 72, 44, 117, 60]
  

• C₄H₈O₂
  Fragment probability: 0.75
  Fragment mass: 167.07680000000002
  Fragment main chain atoms: [19, 70, 73, 71, 25]
  Fragment all atoms: [19, 105, 106, 5, 83, 84, 3, 79, 80, 70, 73, 71, 25, 113, 114]
  

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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