| 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: IHS
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Formula: C6H12O24S6 Compound mass: 660.5345999999993 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H6O6
Fragment probability: 1.00
Fragment mass: 174.10800000000003
Fragment main chain atoms: [2, 4, 6, 5, 3, 1]
Fragment all atoms: [2, 38, 26, 4, 40, 28, 6, 42, 30, 5, 41, 29, 3, 39, 27, 1, 37, 25]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| IHS | 3K4Q 4FDU 4ARO 1U26 3AMS 1U25 4TSR 6GJ2 3AMR 1LR8 |
| 945 | 5NPF |
| 93Z | 5NPB |
| 8QF | 5Y4H |
| 9FQ | 5O0S |