| SpectraBase Spectrum ID |
8baePn5EFJg |
| Name |
epsilon-Caprolactam |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
105-60-2 |
| ChEBI ID |
28579 |
| Comments |
100 mM epsilon-caprolactam - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C6 H11 N O |
| IUPAC Name |
azepan-2-one; 2-azepanone |
| InChI |
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| InChIKey |
JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
| KEGG Compound ID |
C06593 |
| KEGG Pathways |
PATH: ko00930 Caprolactam degradation |
| PubChem Compound ID |
7768 |
| SMILES |
C1CCC(=O)NCC1 |
| Source File Reference |
bmse000372 |
