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

Submission ID: DGX
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.51

List of identified carbohydrate fragments:

• C₆H₁₁O₄
  Fragment probability: 1.00
  Fragment mass: 147.14870000000002
  Fragment main chain atoms: [50, 34, 15, 28, 36, 19, 42, 104, 114, 47, 111, 118]
  Fragment all atoms: [50, 34, 109, 54, 15, 88, 89, 28, 36, 19, 96, 1, 56, 57, 58, 42, 104, 114, 47, 111, 118]
  

• C₆H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 146.14080000000004
  Fragment main chain atoms: [29, 16, 33, 51, 20, 37, 43, 105, 115]
  Fragment all atoms: [29, 16, 90, 91, 33, 108, 53, 51, 20, 97, 2, 59, 60, 61, 37, 112, 55, 43, 105, 115]
  

• C₆H₁₀O₄
  Fragment probability: 1.00
  Fragment mass: 146.14080000000004
  Fragment main chain atoms: [30, 17, 35, 52, 21, 38, 44, 106, 116]
  Fragment all atoms: [30, 17, 92, 93, 35, 110, 55, 52, 21, 98, 3, 62, 63, 64, 38, 113, 54, 44, 106, 116]
  

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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