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

Submission ID: H4S
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.34

List of identified carbohydrate fragments:

• C₆H₁₁N₁O₄
  Fragment probability: 1.00
  Fragment mass: 162.16330000000002
  Fragment main chain atoms: [40, 45, 49, 50, 48, 42]
  Fragment all atoms: [40, 140, 141, 45, 147, 54, 155, 49, 150, 58, 158, 50, 151, 59, 159, 48, 149, 57, 157, 42, 144, 51]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [44, 47]
  Fragment all atoms: [44, 146, 38, 136, 137, 36, 132, 133, 53, 154, 47, 148, 43, 145, 41, 142, 143, 52, 56, 156]
  

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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