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

Submission ID: UD6
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:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [14, 15, 16, 34, 10]
  Fragment all atoms: [14, 56, 26, 64, 15, 57, 27, 65, 16, 58, 20, 34, 10, 53, 6, 49, 50, 33]
  

• C₈H₁₂O₅
  Fragment probability: 1.00
  Fragment mass: 176.16670000000005
  Fragment main chain atoms: [12, 13, 9, 35, 17, 8, 24, 54, 62, 25, 55, 63]
  Fragment all atoms: [12, 13, 9, 52, 5, 47, 48, 21, 61, 35, 17, 59, 36, 8, 51, 4, 45, 46, 7, 24, 54, 62, 25, 55, 63]
  

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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