Systematic / IUPAC Name: (5Z,13E,15R)-15-Hydroxy-16,16-dimethyl-9-oxoprosta-5,10,13-trien-1-oic acid
ID: Reference4730
Other Names:
(Z)-7-{(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl}hept-5-enoic acid ;
16,16-Dimethyl-PGA2 ;
9-Oxo-15R-hydroxy-16,16-dimethyl-5Z,10Z,13E-prostatrienoic acid
Formula: C22H34O4
Class: Endogenous Metabolites
16,16-Dimethyl prostaglandin A2 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 | 713 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 5/5/2016 10:50:56 AM |
InChI | InChI=1S/C22H34O4/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/h6,8,12-15,17-18,20,24H,4-5,7,9-11,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1 |
InChI Key | MOTPSJUHMGPRFZ-QEJIITRLSA-N |
Canonical SMILES | CCCCC(C)(C)C(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O |
CAS | 41691923 |
Splash | |
Other Names |
(Z)-7-{(1R,2S)-2-[(E,3R)-3-Hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopent-3-en-1-yl}hept-5-enoic acid ; 16,16-Dimethyl-PGA2 ; 9-Oxo-15R-hydroxy-16,16-dimethyl-5Z,10Z,13E-prostatrienoic acid |