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

Submission ID: NDC
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.45

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [21, 19, 16, 47, 26]
  Fragment all atoms: [21, 74, 38, 84, 19, 72, 36, 82, 16, 70, 8, 63, 64, 45, 47, 26, 76, 33]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [20, 22, 27, 48, 17]
  Fragment all atoms: [20, 73, 37, 83, 22, 75, 39, 85, 27, 77, 34, 48, 17, 71, 9, 65, 66, 46]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 261.0403
  Fragment main chain atoms: [8, 45, 50, 49, 51, 46, 9]
  Fragment all atoms: [8, 63, 64, 45, 50, 49, 51, 46, 9, 65, 66]
  

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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