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

Submission ID: CVE
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.72
• Compound probability: 0.32

List of identified carbohydrate fragments:

• C₄H₇N₁O₃
  Fragment probability: 0.72
  Fragment mass: 118.11089999999999
  Fragment main chain atoms: [14, 18, 11, 23]
  Fragment all atoms: [14, 60, 61, 35, 67, 18, 63, 30, 11, 56, 57, 23, 36, 37, 68]
  

• C₇H₁₀N₂O₂
  Fragment probability: 0.44
  Fragment mass: 143.16330000000002
  Fragment main chain atoms: [14, 18, 30, 24, 15, 1]
  Fragment all atoms: [14, 60, 61, 35, 67, 18, 63, 11, 56, 57, 23, 30, 24, 38, 15, 62, 34, 1, 42, 43, 44]
  

• C₇H₁₁N₂O₄
  Fragment probability: 0.59
  Fragment mass: 188.18070000000003
  Fragment main chain atoms: [23, 11, 18, 30, 24, 15, 1]
  Fragment all atoms: [23, 36, 37, 68, 11, 56, 57, 18, 63, 14, 60, 61, 35, 67, 30, 24, 38, 15, 62, 34, 1, 42, 43, 44]
  

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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