Systematic / IUPAC Name: (5Z,8β,9α,11α)-9,11-Dihydroxy-15-oxoprost-5-en-1-oic acid
ID: Reference9854
Other Names:
8-Iso-13,14-dihydro-15-keto prostaglandin F2α;
8-iso-13,14-dihydro-15-keto PGF2α;
(5Z,8b,9a,11a)-9,11-Dihydroxy-15-oxo-prost-5-en-1-oate;
(5Z,8b,9a,11a)-9,11-Dihydroxy-15-oxo-prost-5-en-1-oic acid;
9α,11α-Dihydroxy-15-oxo-(8β)-prost-5Z-en-1-oic acid
; more
Formula: C20H34O5
Class: Endogenous Metabolites
8-iso-13,14-dihydro-15-keto Prostaglandin F2α 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 | 1 |
No. of Spectra | 1837 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 7/30/2020 7:25:02 AM |
InChI | InChI=1S/C20H34O5/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/h4,7,16-19,22-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17+,18-,19+/m0/s1 |
InChI Key | VKTIONYPMSCHQI-JPRPWBOBSA-N |
Canonical SMILES | CCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)O)O)O |
CAS | 191919025 |
Splash | |
Other Names |
8-Iso-13,14-dihydro-15-keto prostaglandin F2α; 8-iso-13,14-dihydro-15-keto PGF2α; (5Z,8b,9a,11a)-9,11-Dihydroxy-15-oxo-prost-5-en-1-oate; (5Z,8b,9a,11a)-9,11-Dihydroxy-15-oxo-prost-5-en-1-oic acid; 9α,11α-Dihydroxy-15-oxo-(8β)-prost-5Z-en-1-oic acid; 9S,11R-Dihydroxy-15-oxo-5Z-prostaenoate; 9S,11R-Dihydroxy-15-oxo-5Z-prostaenoic acid; 9S,11R-Dihydroxy-15-oxo-5Z-prostaenoic acid-cyclo[8S,12R]; Prost-5-en-1-oic acid, 9,11-dihydroxy-15-oxo-, (5Z,8β,9α,11α)- |
HMDb | HMDB0006562 |
PubChem | 5283214 |
ChemSpider | 4446335 |