Systematic / IUPAC Name: 7-[(1R,2R,3R)-2-[(E,3R,7R)-3,7-Dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
ID: Reference9742
Other Names:
Prost-13-en-1-oic acid, 11,15,19-trihydroxy-9-oxo-, (11α,13E,15R,19R)-;
(11α,13E,15R,19R)-11,15,19-Trihydroxy-9-oxoprost-13-en-1-oic acid;
15(R),19(R)-hydroxy PGE1
Formula: C20H34O6
Class: Endogenous Metabolites
15(R),19(R)-hydroxy Prostaglandin E1 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 | 1675 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/5/2020 7:32:54 AM |
InChI | InChI=1S/C20H34O6/c1-14(21)7-6-8-15(22)11-12-17-16(18(23)13-19(17)24)9-4-2-3-5-10-20(25)26/h11-12,14-17,19,21-22,24H,2-10,13H2,1H3,(H,25,26)/b12-11+/t14-,15-,16-,17-,19-/m1/s1 |
InChI Key | QVVXWHIDRKRPMO-HESWFPMQSA-N |
Canonical SMILES | CC(CCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O)O |
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Other Names |
Prost-13-en-1-oic acid, 11,15,19-trihydroxy-9-oxo-, (11α,13E,15R,19R)-; (11α,13E,15R,19R)-11,15,19-Trihydroxy-9-oxoprost-13-en-1-oic acid; 15(R),19(R)-hydroxy PGE1 |