8-iso Prostaglandin A1
9828
Reference
8-iso Prostaglandin A1 Structure
Systematic / IUPAC Name: 7-[(1S,2S)-2-[(E,3S)-3-Hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
ID: Reference9828
Other Names:
9-oxo-15S-hydroxy-10Z,13E-prostadienoate;
(8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID;
8-iso-PGA1;
8-epi PGA1
Formula: C20H32O4
Class: Endogenous Metabolites
Spectral Data
8-iso Prostaglandin A1 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 Fusion with FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1731 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/9/2020 7:05:30 AM |
Identificators
| InChI | InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18-/m0/s1 |
| InChI Key | BGKHCLZFGPIKKU-DRSVPBQLSA-N |
| Canonical SMILES | CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O |
| CAS | 211186297 |
| Splash | |
| Other Names |
9-oxo-15S-hydroxy-10Z,13E-prostadienoate; (8S,12S)-15S-HYDROXY-9-OXOPROSTA-10Z,13E-DIEN-1-OIC ACID; 8-iso-PGA1; 8-epi PGA1 |