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

Submission ID: TET
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.50

List of identified carbohydrate fragments:

• C₈H₁₃N₁O₆
  Fragment probability: 1.00
  Fragment mass: 219.1914
  Fragment main chain atoms: [15, 13, 8, 43, 17, 11, 7, 71, 1, 22, 26, 29, 66, 75]
  Fragment all atoms: [15, 68, 44, 13, 8, 62, 4, 56, 57, 25, 73, 43, 17, 70, 45, 11, 64, 7, 71, 1, 51, 52, 53, 22, 26, 29, 66, 75]
  

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [12, 14, 16, 42, 9]
  Fragment all atoms: [12, 65, 28, 74, 14, 67, 30, 76, 16, 69, 24, 42, 9, 63, 5, 58, 59, 41]
  

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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