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

Submission ID: FN5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.72

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [13, 15, 17, 36, 8]
  Fragment all atoms: [13, 54, 29, 66, 15, 56, 31, 68, 17, 58, 24, 36, 8, 50, 5, 47, 48, 35]
  

• C₉H₁₃N₁O₅
  Fragment probability: 1.00
  Fragment mass: 202.18410000000006
  Fragment main chain atoms: [14, 10, 18, 37, 16, 11, 6, 62, 1, 26, 22, 30, 55, 67]
  Fragment all atoms: [14, 10, 51, 18, 59, 38, 37, 16, 57, 12, 53, 7, 49, 28, 65, 11, 52, 6, 62, 1, 40, 41, 42, 26, 22, 30, 55, 67]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [4, 7]
  Fragment all atoms: [4, 45, 46, 25, 63, 7, 49, 27, 64]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [4, 7, 12]
  Fragment all atoms: [4, 45, 46, 25, 63, 7, 49, 27, 64, 12, 53, 28, 65]
  

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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