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

Submission ID: KPM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 1.00

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [12, 14, 8, 31, 16, 10, 6, 58, 1, 20, 23, 25, 52, 61, 56, 27, 63]
  Fragment all atoms: [12, 14, 54, 33, 8, 48, 4, 44, 45, 22, 60, 31, 16, 10, 50, 6, 58, 1, 35, 36, 37, 20, 23, 25, 52, 61, 56, 27, 63]
  

• C₈H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 190.15030000000004
  Fragment main chain atoms: [5, 30, 19, 34, 15, 9]
  Fragment all atoms: [5, 46, 47, 30, 19, 3, 18, 41, 42, 43, 28, 29, 64, 34, 15, 55, 13, 53, 11, 51, 26, 62, 9, 49, 32]
  

• C₈H₁₂N₁O₆
  Fragment probability: 1.00
  Fragment mass: 218.18349999999998
  Fragment main chain atoms: [11, 13, 15, 9, 32, 17, 7, 59, 2, 21, 24, 53, 26, 62]
  Fragment all atoms: [11, 51, 13, 15, 55, 34, 9, 49, 5, 46, 47, 30, 32, 17, 57, 33, 7, 59, 2, 38, 39, 40, 21, 24, 53, 26, 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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