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

Submission ID: CSM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.52

List of identified carbohydrate fragments:

• C₇H₉N₁O₅
  Fragment probability: 1.00
  Fragment mass: 201.17620000000002
  Fragment main chain atoms: [23, 8, 10, 24, 12, 6]
  Fragment all atoms: [23, 8, 36, 9, 37, 16, 40, 10, 38, 14, 24, 12, 5, 33, 34, 22, 6, 35, 4, 31, 32, 21]
  

• C₇H₉N₁O₄
  Fragment probability: 1.00
  Fragment mass: 157.1238
  Fragment main chain atoms: [9, 8, 10, 24, 12]
  Fragment all atoms: [9, 37, 16, 40, 8, 36, 23, 10, 38, 14, 24, 12, 5, 6, 33, 34, 22, 35, 4, 31, 32]
  

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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