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

Submission ID: TUM
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.70

List of identified carbohydrate fragments:

• C₈H₁₄N₁O₆
  Fragment probability: 1.00
  Fragment mass: 220.19930000000002
  Fragment main chain atoms: [25, 29, 28, 22, 55, 35, 19, 107, 3, 38, 43, 49, 99, 114, 48, 98, 113]
  Fragment all atoms: [25, 95, 29, 28, 22, 94, 17, 89, 90, 42, 110, 55, 35, 105, 57, 19, 107, 3, 64, 65, 66, 38, 43, 49, 99, 114, 48, 98, 113]
  

• C₁₁H₁₅N₁O₅
  Fragment probability: 1.00
  Fragment mass: 214.19480000000004
  Fragment main chain atoms: [36, 54, 21, 27, 30, 26, 23, 108, 13, 45, 39, 97, 47, 112, 100, 50, 115]
  Fragment all atoms: [36, 106, 57, 54, 21, 93, 16, 87, 88, 20, 92, 27, 30, 26, 96, 23, 108, 13, 84, 11, 81, 9, 77, 78, 45, 39, 97, 47, 112, 100, 50, 115]
  

• C₆H₁₀N₁O₄
  Fragment probability: 1.00
  Fragment mass: 146.121
  Fragment main chain atoms: [31, 32, 34, 56, 33]
  Fragment all atoms: [31, 101, 51, 116, 32, 102, 52, 117, 34, 104, 41, 56, 33, 103, 20, 92, 16, 87, 88, 44, 111]
  

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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