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

Submission ID: EY5
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.43

List of identified carbohydrate fragments:

• C₇H₁₃O₄
  Fragment probability: 1.00
  Fragment mass: 144.1679
  Fragment main chain atoms: [16, 35, 31, 23, 46, 26, 41, 107, 112]
  Fragment all atoms: [16, 92, 93, 35, 9, 74, 75, 76, 43, 113, 31, 23, 100, 8, 71, 72, 73, 46, 26, 103, 48, 41, 107, 112]
  

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [29, 24, 14, 18, 45, 34, 40, 105, 111]
  Fragment all atoms: [29, 24, 101, 37, 14, 88, 89, 18, 95, 3, 56, 57, 58, 45, 34, 109, 49, 40, 105, 111]
  

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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