Systematic / IUPAC Name: 7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}heptanoic acid
ID: Reference9784
Other Names:
PGH1;
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoic acid;
9,11-epi-Dioxy-15-hydroxy-(9α,11α,13E,15S)-prost-13-en-1-oic acid;
9α,11α-Epidioxy-15(S)-hydroxy-13-trans-prostenoic acid;
9S,11R-Epidioxy-15S-hydroxy-13E-prostaenoic acid
Formula: C20H34O5
Class: Endogenous Metabolites
Prostaglandin H1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion with FAIMS |
No. of Spectral Trees | 2 |
No. of Spectra | 3140 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/22/2020 4:40:01 PM |
InChI | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16+,17+,18-,19+/m0/s1 |
InChI Key | NTAYABHEVAQSJS-CDIPTNKSSA-N |
Canonical SMILES | CCCCCC(C=CC1C2CC(C1CCCCCCC(=O)O)OO2)O |
CAS | 52589227 |
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Other Names |
PGH1; 7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoic acid; 9,11-epi-Dioxy-15-hydroxy-(9α,11α,13E,15S)-prost-13-en-1-oic acid; 9α,11α-Epidioxy-15(S)-hydroxy-13-trans-prostenoic acid; 9S,11R-Epidioxy-15S-hydroxy-13E-prostaenoic acid |
ChemSpider | 4446175 |
ChEBI | CHEBI:91133 |
PubChem | 5283048 |