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

Submission ID: MOU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.67

List of identified carbohydrate fragments:

• C₆H₈O₆
  Fragment probability: 1.00
  Fragment mass: 176.12380000000007
  Fragment main chain atoms: [29, 37, 30, 22, 47, 32, 41, 98, 102]
  Fragment all atoms: [29, 37, 48, 49, 30, 99, 45, 22, 93, 4, 59, 60, 61, 47, 32, 100, 46, 41, 98, 102]
  

• C₁₈H₂₁O₄
  Fragment probability: 1.00
  Fragment mass: 246.25800000000004
  Fragment main chain atoms: [34, 25, 24, 17, 35, 36]
  Fragment all atoms: [34, 16, 18, 84, 85, 23, 94, 88, 38, 25, 96, 14, 81, 82, 13, 79, 80, 24, 95, 21, 92, 3, 56, 57, 58, 17, 86, 87, 35, 19, 15, 83, 89, 90, 46, 36, 26, 33, 20, 91, 43, 44, 103]
  

• C₁₅H₁₅O₄
  Fragment probability: 1.00
  Fragment mass: 203.2135
  Fragment main chain atoms: [34, 16, 23, 35, 36]
  Fragment all atoms: [34, 18, 25, 88, 38, 96, 14, 24, 81, 82, 95, 16, 84, 85, 23, 94, 15, 83, 26, 35, 17, 19, 86, 87, 89, 90, 46, 36, 33, 20, 91, 43, 44, 103]
  

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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