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

Submission ID: FUG
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.88

List of identified carbohydrate fragments:

• C₁₀H₁₅O₄
  Fragment probability: 1.00
  Fragment mass: 154.16280000000003
  Fragment main chain atoms: [23, 19, 16, 17, 25, 24]
  Fragment all atoms: [23, 66, 31, 19, 64, 32, 16, 60, 61, 17, 62, 63, 25, 3, 40, 41, 42, 30, 69, 24, 67, 26, 4, 20, 43, 44, 45, 65, 33]
  

• C₅H₅O₂
  Fragment probability: 0.45
  Fragment mass: 84.07320000000001
  Fragment main chain atoms: [21, 12, 10]
  Fragment all atoms: [21, 27, 28, 68, 12, 55, 10, 53, 8, 51, 6, 49]
  

• C₄H₄O₂
  Fragment probability: 0.50
  Fragment mass: 71.05460000000001
  Fragment main chain atoms: [21, 12]
  Fragment all atoms: [21, 27, 28, 68, 12, 55, 10, 53, 8, 51]
  

• C₄H₃O₂
  Fragment probability: 0.44
  Fragment mass: 70.04670000000002
  Fragment main chain atoms: [22, 13]
  Fragment all atoms: [22, 29, 32, 13, 56, 11, 54, 9, 52]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 18]
  Fragment all atoms: [1, 34, 35, 36, 18]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 18]
  Fragment all atoms: [2, 37, 38, 39, 18]
  

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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