| 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: AXI
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Formula: C22H18N4O1S1 Compound mass: 386.46880000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C2H3N1O1
Fragment probability: 0.50
Fragment mass: 54.0704
Fragment main chain atoms: [1, 23, 22]
Fragment all atoms: [1, 29, 30, 31, 23, 22, 27]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| AXI | 4WA9 4AGC 4TWP 4AG8 |
| LZ3 | 2VTI |
| 631 | 4JXF |
| YIX | 2YIX |
| LWW | 4LWW |