| 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: FMD
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Formula: C20F1H20N3O4 Compound mass: 385.3881 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H8N1O2
Fragment probability: 0.55
Fragment mass: 128.14870000000002
Fragment main chain atoms: [1, 10, 19, 16, 6]
Fragment all atoms: [1, 29, 30, 31, 10, 40, 25, 47, 19, 42, 22, 16, 41, 26, 48, 6]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FMD | 1R78 |
| X2M | 2X2M |
| B49 | 3MIY 6NG0 6NFZ 2Y7J 4KS8 3G0E 6NFY 3G0F 4AGD 4QMZ 3TI1 |
| X2K | 2X2K |
| 43A | 2AYP |