| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: CWH
|
|
Formula: C27H49N1O8 Compound mass: 515.6778999999998 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C3H5N1O2
Fragment probability: 0.64
Fragment mass: 73.07039999999999
Fragment main chain atoms: [5, 20, 26]
Fragment all atoms: [5, 49, 50, 51, 20, 77, 29, 83, 26, 33, 28]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| CWH | 6F7V 6F7L |
| ZIT | 5IGI 5IGV 4V7Y 1NWY 5UXD 5UXC 3OHZ 1YHQ 3OI1 1M1K |
| 9XB | 5OJY |
| ZIO | 5IGR 2IYA 5IGS |
| ERN | 2O43 |