| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
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Home Process a structure file Publication files: |
Submission ID: LKS
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Formula: C14H20N2O4S1 Compound mass: 312.3838000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H11N1O4
Fragment probability: 1.00
Fragment mass: 194.22830000000002
Fragment main chain atoms: [13, 12, 11, 9, 21, 14]
Fragment all atoms: [13, 34, 20, 41, 12, 33, 19, 40, 11, 32, 18, 39, 9, 31, 7, 29, 30, 17, 38, 21, 14, 35, 16]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| LKS | 1R34 |
| LKA | 1R33 |
| VPA | 3WQ5 |
| 2SK | 2F7P |
| 6DJ | 3WF4 3WF0 |