Systematic / IUPAC Name: (13E,15R)-15-Hydroxy-16,16-dimethyl-9-oxoprosta-10,13-dien-1-oic acid
ID: Reference4729
Other Names:
16,16-Dime-PGA1 ;
DMPGA1 ;
16,16-Dimethyl-PGA1 ;
7-{(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl}heptanoic acid ;
9-Oxo-15R-hydroxy-16,16-dimethyl-10Z,13E-prostadienoic acid
; more
Formula: C22H36O4
Class: Endogenous Metabolites
16,16-Dimethyl 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 | 1159 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 5/5/2016 8:32:27 AM |
InChI | InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h12-15,17-18,20,24H,4-11,16H2,1-3H3,(H,25,26)/b15-13+/t17-,18-,20-/m1/s1 |
InChI Key | CTQQHQGBBMYJPT-DZFVFWAGSA-N |
Canonical SMILES | CCCCC(C)(C)C(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O |
CAS | 41692244 |
Splash | |
Other Names |
16,16-Dime-PGA1 ; DMPGA1 ; 16,16-Dimethyl-PGA1 ; 7-{(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl}heptanoic acid ; 9-Oxo-15R-hydroxy-16,16-dimethyl-10Z,13E-prostadienoic acid; 9-Oxo-15R-hydroxy-16,16-dimethylprosta-10,13E-dien-1-oic acid; Prosta-10,13-dien-1-oic acid, 15-hydroxy-16,16-dimethyl-9-oxo-, (13E,15R)- |