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

Submission ID: NGU
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.58

List of identified carbohydrate fragments:

• C₇H₁₀O₅
  Fragment probability: 1.00
  Fragment mass: 158.15149999999997
  Fragment main chain atoms: [54, 36, 33, 39, 32, 14]
  Fragment all atoms: [54, 36, 100, 55, 33, 98, 51, 39, 4, 67, 68, 69, 53, 32, 97, 50, 14, 91, 1, 58, 59, 60]
  

• C₉H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 171.15030000000004
  Fragment main chain atoms: [29, 25, 31, 38, 57, 35, 46, 95, 104, 47, 96, 105]
  Fragment all atoms: [29, 25, 94, 40, 31, 38, 17, 3, 11, 30, 86, 64, 65, 66, 57, 35, 99, 56, 46, 95, 104, 47, 96, 105]
  

• C₅H₄O₂
  Fragment probability: 0.40
  Fragment mass: 56.0631
  Fragment main chain atoms: [34, 52, 8]
  Fragment all atoms: [34, 24, 93, 15, 37, 48, 52, 8, 79, 80, 81]
  

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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