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

Submission ID: CSF
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.74

List of identified carbohydrate fragments:

• C₅H₈N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [12, 14, 17, 39, 8]
  Fragment all atoms: [12, 56, 30, 68, 14, 58, 32, 70, 17, 61, 25, 39, 8, 53, 5, 50, 51, 38]
  

• C₁₀H₁₃N₁O₇
  Fragment probability: 1.00
  Fragment mass: 230.19420000000002
  Fragment main chain atoms: [13, 16, 20, 40, 15, 10, 6, 64, 1, 27, 23, 31, 57, 69]
  Fragment all atoms: [13, 16, 60, 20, 18, 33, 34, 71, 41, 40, 15, 59, 11, 55, 7, 52, 29, 67, 10, 54, 6, 64, 1, 43, 44, 45, 27, 23, 31, 57, 69]
  

• C₂H₅O₂
  Fragment probability: 0.97
  Fragment mass: 74.0783
  Fragment main chain atoms: [4, 7]
  Fragment all atoms: [4, 48, 49, 26, 65, 7, 52, 28, 66]
  

• C₃H₇O₃
  Fragment probability: 0.98
  Fragment mass: 103.09630000000001
  Fragment main chain atoms: [4, 7, 11]
  Fragment all atoms: [4, 48, 49, 26, 65, 7, 52, 28, 66, 11, 55, 29, 67]
  

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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