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

Submission ID: CTY
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.40

List of identified carbohydrate fragments:

• C₆H₁₀N₁O₃
  Fragment probability: 1.00
  Fragment mass: 144.14810000000003
  Fragment main chain atoms: [29, 25, 16, 20, 48, 35, 41, 112, 118]
  Fragment all atoms: [29, 25, 109, 39, 16, 97, 98, 20, 104, 3, 59, 60, 61, 48, 35, 117, 52, 41, 112, 118]
  

• C₇H₁₂O₄
  Fragment probability: 1.00
  Fragment mass: 144.1679
  Fragment main chain atoms: [18, 36, 32, 24, 49, 27, 43, 115, 120]
  Fragment all atoms: [18, 101, 102, 36, 8, 74, 75, 76, 46, 32, 24, 108, 7, 71, 72, 73, 49, 27, 111, 51, 43, 115, 120]
  

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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