Prostaglandin K1
9800
Reference
Prostaglandin K1 Structure
Systematic / IUPAC Name: (13E,15S)-15-Hydroxy-9,11-dioxoprost-13-en-1-oic acid
ID: Reference9800
Other Names:
Prostaglandin K1;
9,11-Dioxo-15S-hydroxy-prost-13E-en-1-oic acid;
Prost-13-en-1-oic acid, 15-hydroxy-9,11-dioxo-, (13E,15S)-;
PGK1
Formula: C20H32O5
Class: Endogenous Metabolites
Spectral Data
Prostaglandin K1 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 | 2302 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/25/2020 6:40:39 AM |
Identificators
| InChI | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,21H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+/m0/s1 |
| InChI Key | KJWZYMMLVHIVSU-IYCNHOCDSA-N |
| Canonical SMILES | CCCCCC(C=CC1C(C(=O)CC1=O)CCCCCCC(=O)O)O |
| CAS | 69413736 |
| Splash | |
| Other Names |
Prostaglandin K1; 9,11-Dioxo-15S-hydroxy-prost-13E-en-1-oic acid; Prost-13-en-1-oic acid, 15-hydroxy-9,11-dioxo-, (13E,15S)-; PGK1 |