| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: E35
|
|
Formula: C9H10O4 Compound mass: 182.17290000000008 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C3H5O2
Fragment probability: 0.75
Fragment mass: 69.0817
Fragment main chain atoms: [2, 13, 9]
Fragment all atoms: [2, 17, 18, 1, 14, 15, 16, 13, 9, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| E35 | 4J0J |
| EGR | 4JUI 4J0K |
| 34D | 2BX7 |
| E4B | 3VPK |
| 3HB | 3PCB 5I7I 5A3K 4Q6W 5HPI 4BK1 2DKH 4PAI 6O9A 3TUS |