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

Submission ID: ARK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.68
• Compound probability: 0.65

List of identified carbohydrate fragments:

• C₄H₈N₁O₂
  Fragment probability: 0.67
  Fragment mass: 103.11939999999998
  Fragment main chain atoms: [10, 45, 11]
  Fragment all atoms: [10, 63, 64, 8, 59, 60, 26, 45, 11, 65, 66, 12, 67, 68, 46]
  

• C₇H₁₁N₂O₂
  Fragment probability: 0.47
  Fragment mass: 143.16329999999996
  Fragment main chain atoms: [10, 45, 11, 12, 46, 15]
  Fragment all atoms: [10, 63, 64, 8, 59, 60, 26, 45, 11, 65, 66, 12, 67, 68, 46, 15, 71, 72, 16, 14, 70, 29]
  

• C₅H₇N₁O₂
  Fragment probability: 0.50
  Fragment mass: 100.0957
  Fragment main chain atoms: [11, 12, 46, 15]
  Fragment all atoms: [11, 65, 66, 45, 12, 67, 68, 46, 15, 71, 72, 16, 14, 70, 29]
  

• C₅H₇N₁O₄
  Fragment probability: 0.68
  Fragment mass: 146.121
  Fragment main chain atoms: [22, 7, 6, 20, 24]
  Fragment all atoms: [22, 35, 34, 78, 7, 57, 58, 6, 55, 56, 20, 74, 28, 24, 38, 39, 80]
  

• C₉H₁₂N₂O₅
  Fragment probability: 0.55
  Fragment mass: 202.16430000000003
  Fragment main chain atoms: [23, 19, 27, 25, 28, 20, 24]
  Fragment all atoms: [23, 36, 37, 79, 19, 73, 3, 51, 52, 1, 47, 48, 27, 25, 40, 28, 20, 74, 6, 55, 56, 7, 57, 58, 24, 38, 39, 80]
  

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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