Systematic / IUPAC Name: (12Z,14E)-9-Oxoprosta-10,12,14-trien-1-oic acid
ID: Reference4724
Other Names:
15-Deoxy-Δ12,14-PGA1 ;
Prosta-10,12,14-trien-1-oic acid, 9-oxo-, (12Z,14E)-;
7-{(1R,2Z)-2-[(E)-Oct-2-enylidene]-5-oxocyclopent-3-en-1-yl}heptanoic acid
Formula: C20H30O3
Class: Endogenous Metabolites
15-Deoxy-Δ12,14-prostaglandin A1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 1 |
No. of Spectra | 2349 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 5/2/2016 9:56:31 AM |
InChI | InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1 |
InChI Key | LDOCIRJMPUHXRM-YUJGFSRTSA-N |
Canonical SMILES | CCCCCC=CC=C1C=CC(=O)C1CCCCCCC(=O)O |
CAS | 573951209 |
Splash | |
Other Names |
15-Deoxy-Δ12,14-PGA1 ; Prosta-10,12,14-trien-1-oic acid, 9-oxo-, (12Z,14E)-; 7-{(1R,2Z)-2-[(E)-Oct-2-enylidene]-5-oxocyclopent-3-en-1-yl}heptanoic acid |