| 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: JUV
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Formula: C18H16O6 Compound mass: 328.31539999999995 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C5H4O4
Fragment probability: 0.60
Fragment mass: 113.09119999999999
Fragment main chain atoms: [17, 24, 16, 18]
Fragment all atoms: [17, 21, 24, 16, 37, 11, 35, 36, 13, 18, 23, 22, 40]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| JUV | 6MK2 |
| ROA | 3QNL 4PWI 6MQD |
| QAP | 4GQ0 3V9Q 5HNT 4QRF 4E9A |
| GKP | 6DIK |
| OFF | 2OFF |