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

Submission ID: 7XP
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 148.13680000000002
  Fragment main chain atoms: [12, 8, 6, 3, 28, 17, 46, 26, 64, 23, 40, 61]
  Fragment all atoms: [12, 8, 42, 20, 6, 3, 36, 37, 28, 17, 51, 31, 46, 26, 64, 23, 40, 61]
  

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.17060000000004
  Fragment main chain atoms: [4, 14, 13, 15, 5, 1]
  Fragment all atoms: [4, 38, 18, 14, 48, 30, 13, 47, 27, 65, 15, 49, 31, 5, 39, 19, 1, 32, 33]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [9, 11, 10, 7, 29, 16, 25, 45, 63, 24, 44, 62]
  Fragment all atoms: [9, 43, 21, 11, 10, 7, 41, 2, 34, 35, 22, 60, 29, 16, 50, 30, 25, 45, 63, 24, 44, 62]
  

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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