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

Submission ID: 51G
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.85

List of identified carbohydrate fragments:

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 160.1706
  Fragment main chain atoms: [14, 17, 12, 7, 11, 16]
  Fragment all atoms: [14, 59, 27, 74, 17, 62, 33, 12, 57, 24, 7, 50, 51, 11, 56, 23, 16, 61, 32]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [15, 18, 21, 8, 30, 20, 28, 60, 75]
  Fragment all atoms: [15, 18, 63, 26, 21, 2, 37, 38, 39, 29, 76, 8, 52, 53, 30, 20, 65, 33, 28, 60, 75]
  

• C₅H₁₀N₁O₁
  Fragment probability: 0.55
  Fragment mass: 87.12
  Fragment main chain atoms: [1, 9, 25, 3]
  Fragment all atoms: [1, 34, 35, 36, 9, 54, 13, 58, 6, 48, 49, 31, 25, 3, 40, 41, 42]
  

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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