| 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: 7CV
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Formula: C8H16O5 Compound mass: 192.20900000000012 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
List of identified carbohydrate fragments:
C6H10O5
Fragment probability: 1.00
Fragment mass: 162.14020000000005
Fragment main chain atoms: [13, 8, 7, 6, 5, 4, 10, 27, 29, 24, 9, 28]
Fragment all atoms: [13, 8, 7, 26, 12, 6, 25, 11, 5, 4, 23, 1, 14, 15, 16, 10, 27, 29, 24, 9, 28]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 7CV | 5TIQ 5TIP |
| GU9 | 2B5T 1TB6 |
| 8PK | 5MWK 5MUI 5MUJ |
| GU8 | 1TB6 2B5T |
| MXY | 1HM3 1DBG 1HMW 1HM2 1HMU 1DBO |