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

Submission ID: TYK
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:

• C₆H₉O₅
  Fragment probability: 1.00
  Fragment mass: 161.13230000000004
  Fragment main chain atoms: [42, 41, 37, 26, 60, 45, 52, 128, 138]
  Fragment all atoms: [42, 133, 57, 41, 132, 56, 37, 26, 119, 5, 77, 78, 79, 60, 45, 136, 58, 52, 128, 138]
  

• C₇H₁₃O₄
  Fragment probability: 1.00
  Fragment mass: 144.1679
  Fragment main chain atoms: [21, 46, 43, 28, 59, 35, 54, 134, 140]
  Fragment all atoms: [21, 113, 114, 46, 8, 86, 87, 88, 55, 141, 43, 28, 121, 7, 83, 84, 85, 59, 35, 126, 63, 54, 134, 140]
  

• C₆H₉N₁O₄
  Fragment probability: 1.00
  Fragment mass: 159.13960000000003
  Fragment main chain atoms: [38, 36, 40, 27, 61, 44, 53, 129, 139]
  Fragment all atoms: [38, 36, 127, 47, 40, 131, 63, 27, 120, 6, 80, 81, 82, 61, 44, 135, 64, 53, 129, 139]
  

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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