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

Submission ID: UNH
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.56
• Compound probability: 0.59

List of identified carbohydrate fragments:

• C₄H₉O₁
  Fragment probability: 0.56
  Fragment mass: 73.1133
  Fragment main chain atoms: [20, 22, 4]
  Fragment all atoms: [20, 88, 89, 49, 22, 91, 5, 62, 63, 64, 4, 59, 60, 61]
  

• C₁₈H₂₄N₃O₅
  Fragment probability: 0.44
  Fragment mass: 292.26679999999993
  Fragment main chain atoms: [20, 49, 35, 41, 29, 33, 39, 26, 32, 38, 25, 30]
  Fragment all atoms: [20, 88, 89, 22, 91, 4, 5, 59, 60, 61, 62, 63, 64, 49, 35, 48, 41, 29, 96, 24, 92, 16, 17, 80, 81, 82, 83, 33, 46, 39, 26, 94, 18, 84, 85, 21, 90, 32, 45, 38, 25, 93, 13, 76, 77, 6, 65, 66, 30, 43]
  

• C₁₉H₂₄N₄O₆
  Fragment probability: 0.43
  Fragment mass: 308.2661999999999
  Fragment main chain atoms: [20, 49, 35, 41, 29, 33, 39, 26, 32, 38, 25, 30, 34]
  Fragment all atoms: [20, 88, 89, 22, 91, 4, 5, 59, 60, 61, 62, 63, 64, 49, 35, 48, 41, 29, 96, 24, 92, 16, 17, 80, 81, 82, 83, 33, 46, 39, 26, 94, 18, 84, 85, 21, 90, 32, 45, 38, 25, 93, 13, 76, 77, 6, 65, 66, 30, 43, 34, 47, 37]
  

• C₄H₃N₂O₂
  Fragment probability: 0.35
  Fragment mass: 68.054
  Fragment main chain atoms: [30, 34]
  Fragment all atoms: [30, 25, 93, 13, 76, 77, 38, 43, 34, 47, 37]
  

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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