Mid000008: epsilon-Caprolactam
Metabolite Information
Name
epsilon-Caprolactam
IUPAC Name
azepan-2-one
Molecular Formula
C6H11NO
Molecular Weight
113.16
Exact Mass
113.084064
SMILES
C1CCC(=O)NCC1
InChIKey
JBKVHLHDHHXQEQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
Other Databases Link
kegg_C06593
CID_7768
knapsack_C00000318
CID_7768
knapsack_C00000318
Structure
2D Structure
3D Conformer
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organoheterocyclic compounds
Class:
Lactams
Subclass:
Caprolactams
Species containing this metabolite
| Arabidopsis thaliana | Boehmeria nivea | Hydrangea macrophylla | Laurus nobilis | Magnolia grandiflora |
| Manihot esculenta | Triticum aestivum | Ziziphus jujuba |
Metabolite Spectrum Accession Label