| Cheminformatics Tool for Probabilistic Identification of Carbohydrates (CTPIC) v 1.1 (Spring 2020) |
|||||||||||||||
|
Home Process a structure file Publication files: |
Submission ID: COI
|
|
Formula: C6H10O3 Compound mass: 130.14140000000003 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C4H4O3
Fragment probability: 0.62
Fragment mass: 71.05460000000001
Fragment main chain atoms: [6, 5]
Fragment all atoms: [6, 8, 9, 19, 5, 3, 16, 17, 4, 18, 7]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| COI | 2HDK 1UMD 4H7Q 3UZB 3HPS 5ERE 2XJI 2XJH 3WGY 1DXY 1QS0 1HJF |
| 1QQ | 4OBB 1JD2 |
| 69O | 5I93 |
| OLE | |
| OIL | 3NWX 3NXN 3NWQ 3NXE |