| 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: 46R
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Formula: C6F3H5N2O2 Compound mass: 194.11110000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C3H2N1O1
Fragment probability: 0.29
Fragment mass: 79.07990000000001
Fragment main chain atoms: [5, 10, 3, 6]
Fragment all atoms: [5, 12, 10, 3, 16, 17, 6]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 46R | 4Y4E |
| K0Y | 5QJH |
| 5S5 | 5EUE |
| 02J | 5GWZ 2AMQ 5GWY 3D23 6JIJ 2Q6F 3IWM 5EU8 2HOB |
| 5GI | 5GSW 5GSO |