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

Submission ID: LMN
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 1.00
• Compound probability: 0.77

List of identified carbohydrate fragments:

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [38, 34, 32, 28, 65, 46, 59, 135, 155, 131, 55, 151, 53, 129, 149]
  Fragment all atoms: [38, 34, 32, 28, 125, 22, 114, 115, 49, 145, 65, 46, 143, 69, 59, 135, 155, 131, 55, 151, 53, 129, 149]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [40, 36, 42, 30, 67, 44, 61, 137, 157, 57, 133, 153]
  Fragment all atoms: [40, 36, 42, 139, 69, 30, 127, 24, 118, 119, 51, 147, 67, 44, 141, 63, 61, 137, 157, 57, 133, 153]
  

• C₆H₁₁O₆
  Fragment probability: 1.00
  Fragment mass: 179.14750000000006
  Fragment main chain atoms: [37, 33, 31, 27, 64, 45, 134, 58, 154, 54, 130, 150, 52, 128, 148]
  Fragment all atoms: [37, 33, 31, 27, 124, 21, 112, 113, 48, 144, 64, 45, 142, 68, 134, 58, 154, 54, 130, 150, 52, 128, 148]
  

• C₆H₁₀O₆
  Fragment probability: 1.00
  Fragment mass: 178.13960000000006
  Fragment main chain atoms: [39, 35, 41, 29, 66, 43, 60, 136, 156, 132, 56, 152]
  Fragment all atoms: [39, 35, 41, 138, 68, 29, 126, 23, 116, 117, 50, 146, 66, 43, 140, 62, 60, 136, 156, 132, 56, 152]
  

• C₇H₁₂O₂
  Fragment probability: 0.57
  Fragment mass: 100.1155
  Fragment main chain atoms: [25, 47, 26]
  Fragment all atoms: [25, 120, 121, 62, 47, 20, 19, 110, 111, 18, 106, 107, 108, 109, 17, 104, 105, 26, 122, 123, 63]
  

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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