Met009643: 5-Oxododecanoic acid
Metabolite Information
Name
5-Oxododecanoic acid
IUPAC Name
5-oxododecanoic acid
Molecular Formula
C12H22O3
Molecular Weight
214.3
Exact Mass
214.1568946
SMILES
CCCCCCCC(=O)CCCC(=O)O
InChIKey
WTQMFERWXACENH-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O3/c1-2-3-4-5-6-8-11(13)9-7-10-12(14)15/h2-10H2,1H3,(H,14,15)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Fatty Acyls
Subclass:
Fatty acids and conjugates
Crops containing this metabolite
lettuce
peach
peach
Metabolite Spectrum Accession Label