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

Submission ID: LHA
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 159.16270000000006
  Fragment main chain atoms: [30, 17, 12, 18, 25, 32]
  Fragment all atoms: [30, 99, 58, 17, 86, 40, 12, 78, 79, 18, 87, 44, 25, 94, 48, 121, 32, 101, 60]
  

• C₆H₁₀N₁O₅
  Fragment probability: 1.00
  Fragment mass: 178.16270000000006
  Fragment main chain atoms: [24, 29, 27, 21, 56, 36, 52, 98, 125, 50, 96, 123]
  Fragment all atoms: [24, 93, 42, 29, 27, 21, 90, 14, 82, 83, 45, 118, 56, 36, 104, 58, 52, 98, 125, 50, 96, 123]
  

• C₅H₇O₅
  Fragment probability: 1.00
  Fragment mass: 147.10580000000002
  Fragment main chain atoms: [31, 22, 57, 37, 33]
  Fragment all atoms: [31, 100, 59, 22, 91, 15, 84, 85, 46, 119, 57, 37, 105, 60, 33, 102, 54]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 177.17790000000005
  Fragment main chain atoms: [23, 28, 26, 20, 55, 35, 51, 97, 124, 49, 95, 122]
  Fragment all atoms: [23, 92, 41, 28, 26, 20, 89, 13, 80, 81, 39, 55, 35, 103, 59, 51, 97, 124, 49, 95, 122]
  

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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