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

Submission ID: MQ8
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.38
• Compound probability: 0.72

List of identified carbohydrate fragments:

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [1, 38]
  Fragment all atoms: [1, 54, 55, 56, 38]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 55.098099999999995
  Fragment main chain atoms: [2, 38]
  Fragment all atoms: [2, 57, 58, 59, 38]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [3, 39]
  Fragment all atoms: [3, 60, 61, 62, 39]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [4, 40]
  Fragment all atoms: [4, 63, 64, 65, 40]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [5, 41]
  Fragment all atoms: [5, 66, 67, 68, 41]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [6, 42]
  Fragment all atoms: [6, 69, 70, 71, 42]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [7, 43]
  Fragment all atoms: [7, 72, 73, 74, 43]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [8, 44]
  Fragment all atoms: [8, 75, 76, 77, 44]
  

• C₂H₃
  Fragment probability: 0.38
  Fragment mass: 54.090199999999996
  Fragment main chain atoms: [9, 45]
  Fragment all atoms: [9, 78, 79, 80, 45]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 69.1246
  Fragment main chain atoms: [20, 38]
  Fragment all atoms: [20, 100, 13, 86, 87, 21, 101, 102, 38]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [22, 39]
  Fragment all atoms: [22, 103, 14, 88, 89, 23, 104, 105, 39]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [24, 40]
  Fragment all atoms: [24, 106, 15, 90, 91, 25, 107, 108, 40]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [26, 41]
  Fragment all atoms: [26, 109, 16, 92, 93, 27, 110, 111, 41]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [28, 42]
  Fragment all atoms: [28, 112, 17, 94, 95, 29, 113, 114, 42]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [30, 43]
  Fragment all atoms: [30, 115, 18, 96, 97, 31, 116, 117, 43]
  

• C₄H₅
  Fragment probability: 0.31
  Fragment mass: 68.1167
  Fragment main chain atoms: [32, 44]
  Fragment all atoms: [32, 118, 19, 98, 99, 33, 119, 120, 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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