| 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: JHM
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Formula: C6H12O8S1 Compound mass: 244.2192000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H11O5
Fragment probability: 1.00
Fragment mass: 163.14810000000003
Fragment main chain atoms: [3, 6, 4, 14, 5, 1, 20, 7, 24, 9, 23, 26, 8, 22, 25]
Fragment all atoms: [3, 6, 4, 21, 2, 18, 19, 13, 14, 5, 1, 16, 17, 20, 7, 24, 9, 23, 26, 8, 22, 25]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| JHM | 3OFL 3OAE 5W1X 5W1O |
| G6S | 2N7B 3P5I 1KES |
| L6S | 4AW7 3ILF |
| 5LS | 5EBZ |
| 5TH | 5EBZ |