| 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: MA1
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Formula: C6H12O4S2 Compound mass: 212.28660000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H10O4
Fragment probability: 1.00
Fragment mass: 146.14080000000004
Fragment main chain atoms: [10, 6, 4, 3, 5, 2, 9, 17, 22, 8, 16, 21]
Fragment all atoms: [10, 6, 19, 4, 3, 5, 18, 2, 15, 1, 13, 14, 7, 20, 9, 17, 22, 8, 16, 21]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| MA1 | 1JFH |
| GS1 | 5O59 1KFG 4CTE 3WLS 3WLT 3WLP |
| YIO | 2YIO 2YIP |
| 7K3 | 5M77 |
| MSX | 4D4B |