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

Submission ID: ERN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.41

List of identified carbohydrate fragments:

• C₇H₁₂O₄
  Fragment probability: 1.00
  Fragment mass: 144.1679
  Fragment main chain atoms: [17, 36, 31, 23, 48, 26, 112, 42, 119]
  Fragment all atoms: [17, 97, 98, 36, 9, 76, 77, 78, 46, 31, 23, 104, 7, 70, 71, 72, 48, 26, 107, 50, 112, 42, 119]
  

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [28, 24, 15, 19, 47, 34, 109, 40, 117]
  Fragment all atoms: [28, 24, 105, 39, 15, 93, 94, 19, 100, 3, 58, 59, 60, 47, 34, 114, 51, 109, 40, 117]
  

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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