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

Submission ID: ELM
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:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [37, 36, 35, 31, 50, 38, 107, 48, 116, 47, 106, 115, 105, 46, 114]
  Fragment all atoms: [37, 36, 35, 31, 103, 26, 97, 98, 41, 111, 50, 38, 108, 49, 107, 48, 116, 47, 106, 115, 105, 46, 114]
  

• C₆H₁₁N₁O₃
  Fragment probability: 0.65
  Fragment mass: 115.13010000000001
  Fragment main chain atoms: [27, 29, 34, 30]
  Fragment all atoms: [27, 99, 100, 49, 29, 101, 40, 34, 104, 45, 113, 30, 102, 22, 89, 90, 18, 83, 84, 42, 112]
  

• C₃H₅N₁O₂
  Fragment probability: 0.64
  Fragment mass: 101.10360000000001
  Fragment main chain atoms: [27, 29, 34]
  Fragment all atoms: [27, 99, 100, 49, 29, 101, 40, 34, 104, 45, 113]
  

• C₆H₁₁N₁O₂
  Fragment probability: 0.58
  Fragment mass: 68.0969
  Fragment main chain atoms: [30, 34]
  Fragment all atoms: [30, 102, 22, 89, 90, 18, 83, 84, 42, 112, 34, 104, 29, 101, 27, 99, 100, 40, 45, 113]
  

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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