Octanoyl-L-carnitine
14026
Reference
Octanoyl-L-carnitine Structure
Systematic / IUPAC Name: [(2R)-3-Carboxy-2-octanoyloxypropyl]-trimethylazanium
ID: Reference14026
Other Names:
3-Carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium;
AA-2654
Formula: C15H30NO4 +
Class: Endogenous Metabolites
Spectral Data
Octanoyl-L-carnitine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 2 |
| No. of Spectra | 740 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/21/2026 8:45:33 PM |
Identificators
| InChI | InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1 |
| InChI Key | CXTATJFJDMJMIY-CYBMUJFWSA-O |
| Canonical SMILES | CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C |
| CAS | |
| Splash | |
| Other Names |
3-Carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium; AA-2654 |
In Other Databases
| ChemSpider | 395787 |
| ChEMBL | CHEMBL1234930 |
| PubChem | 449186 |