| SpectraBase Spectrum ID |
EhzNkRKGIeq |
| Name |
Linoleic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
60-33-3 |
| ChEBI ID |
17351 |
| Comments |
Saturated Linoleic Acid - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C18 H32 O2 |
| IUPAC Name |
(9Z,12Z)-octadeca-9,12-dienoic acid |
| InChI |
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- |
| InChIKey |
OYHQOLUKZRVURQ-HZJYTTRNSA-N |
| KEGG Compound ID |
C01595 |
| KEGG Pathways |
PATH: ko00591 Linoleic acid metabolism
PATH: ko01040 Biosynthesis of unsaturated fatty acids |
| PubChem Compound ID |
5280450 |
| SMILES |
CCCCCC=CCC=CCCCCCCCC(=O)O; CCCCC\C=C/C\C=C/CCCCCCCC(=O)O |
| Source File Reference |
bmse000497 |
