| 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: AVJ
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Formula: C9H16N3O2 Compound mass: 198.24160000000012 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H7N1O2
Fragment probability: 0.50
Fragment mass: 145.17909999999998
Fragment main chain atoms: [9, 8, 12, 3]
Fragment all atoms: [9, 13, 14, 30, 8, 28, 4, 24, 25, 7, 12, 3, 21, 22, 23]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| E9V | 6BVY |
| AVJ | 6O6L 6FNQ 4X8E 6QKJ 6H9A |
| AVI | 4PIN 4X8D 4PIO |
| HIS_LFZW | |
| HIS_LFOH_DHD1 |