| 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: MXN
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Formula: C8H7N1O1 Compound mass: 133.14700000000002 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H4N1O1
Fragment probability: 0.27
Fragment mass: 68.054
Fragment main chain atoms: [6, 8, 10]
Fragment all atoms: [6, 9, 8, 16, 7, 4, 5, 14, 15, 10, 17]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| MNN | 6COE 6COI 1YB6 |
| MXN | 6COE 5Y02 6COI 5E4B 3GDN 6COH |
| DHR | 1E55 |
| 12M | 4K8P 2F62 |
| DFH | 4F6P 4F6O |