| 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: I1E
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Formula: C9H10O1 Compound mass: 134.17470000000006 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C3H5O1
Fragment probability: 0.58
Fragment mass: 53.0823
Fragment main chain atoms: [1, 2, 9]
Fragment all atoms: [1, 11, 12, 13, 2, 14, 15, 9, 10]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| I1E | 3SZB |
| I3E | 3SZ9 |
| P18 | 4B55 |
| AC0 | 1ZK4 1ZK1 6Q7R 6Q7N 6Q7P |
| 3PL | 2XFU 2XFO 2XAH 2XCG 1Y3G 4US9 |