| 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: DNG
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Formula: C7H13N1O3 Compound mass: 159.1825000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H7N1O3
Fragment probability: 0.59
Fragment mass: 116.0951
Fragment main chain atoms: [5, 8, 6, 7]
Fragment all atoms: [5, 21, 9, 8, 6, 22, 4, 19, 20, 3, 17, 18, 7, 11, 10, 24]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| DNG | 1S4A |
| QIL | 1AL4 1ALZ |
| DLS | 1FVM 5I8M 5NGQ 5I8X |
| DNM | 1S4A 1S1O 1R9V |
| 9KK | 6NNV 5O4Y 5O45 |