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

Submission ID: ERB
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.42

List of identified carbohydrate fragments:

• C₇H₁₂O₄
  Fragment probability: 1.00
  Fragment mass: 144.1679
  Fragment main chain atoms: [17, 37, 32, 24, 47, 27, 111, 42, 116]
  Fragment all atoms: [17, 96, 97, 37, 10, 78, 79, 80, 45, 32, 24, 104, 8, 72, 73, 74, 47, 27, 107, 49, 111, 42, 116]
  

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [30, 25, 15, 19, 46, 35, 109, 41, 115]
  Fragment all atoms: [30, 25, 105, 38, 15, 92, 93, 19, 99, 3, 57, 58, 59, 46, 35, 113, 50, 109, 41, 115]
  

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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