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

Submission ID: TDT
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.33

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [31, 29, 25, 65, 38]
  Fragment all atoms: [31, 105, 55, 114, 29, 103, 53, 113, 25, 100, 16, 92, 93, 63, 65, 38, 107, 49]
  

• C₅H₆N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.10520000000002
  Fragment main chain atoms: [30, 32, 39, 66, 26]
  Fragment all atoms: [30, 104, 54, 32, 106, 56, 39, 108, 51, 66, 26, 101, 17, 94, 95, 64]
  

• C₂H₄O₃
  Fragment probability: 0.97
  Fragment mass: 260.0324
  Fragment main chain atoms: [16, 63, 68, 67, 69, 64, 17]
  Fragment all atoms: [16, 92, 93, 63, 68, 67, 69, 64, 17, 94, 95]
  

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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