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

Submission ID: G0B
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 175.16210000000007
  Fragment main chain atoms: [10, 15, 13, 7, 55, 21, 79, 52, 122, 50, 77, 120]
  Fragment all atoms: [10, 74, 46, 15, 13, 7, 71, 2, 63, 64, 42, 55, 21, 85, 58, 79, 52, 122, 50, 77, 120]
  

• C₅H₈O₅
  Fragment probability: 1.00
  Fragment mass: 148.11370000000002
  Fragment main chain atoms: [17, 19, 9, 57, 23]
  Fragment all atoms: [17, 81, 54, 124, 19, 83, 59, 9, 73, 4, 67, 68, 48, 118, 57, 23, 87, 60]
  

• C₆H₉N₂O₄
  Fragment probability: 1.00
  Fragment mass: 175.16210000000007
  Fragment main chain atoms: [11, 16, 14, 8, 56, 22, 53, 80, 123, 78, 51, 121]
  Fragment all atoms: [11, 75, 47, 16, 14, 8, 72, 3, 65, 66, 43, 56, 22, 86, 59, 53, 80, 123, 78, 51, 121]
  

• C₆H₈N₂O₃
  Fragment probability: 1.00
  Fragment mass: 158.15480000000002
  Fragment main chain atoms: [5, 12, 20, 18, 6, 1]
  Fragment all atoms: [5, 69, 44, 12, 76, 49, 119, 20, 84, 60, 18, 82, 58, 6, 70, 45, 1, 61, 62]
  

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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