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

Submission ID: LAD
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.53

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [11, 12, 15, 30, 9]
  Fragment all atoms: [11, 47, 24, 56, 12, 48, 25, 57, 15, 49, 23, 30, 9, 46, 5, 41, 42, 29]
  

• C₄H₅N₁O₃
  Fragment probability: 0.61
  Fragment mass: 180.07559999999998
  Fragment main chain atoms: [5, 29, 32, 31, 16]
  Fragment all atoms: [5, 41, 42, 29, 32, 31, 16, 8, 45, 3, 37, 38, 18, 26]
  

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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