8-Isoprostaglandin E2

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Systematic / IUPAC Name: (5Z,8β,11α,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid

ID: Reference9762

Other Names: 8-epi-Pge2;
8-epi-Prostaglandin E2;
8-Iso-pge2;
(5Z,8b,11a,13E,15S)-11,15-Dihydroxy-9-oxo-prosta-5,13-dien-1-oate;
(5Z,8b,11a,13E,15S)-11,15-Dihydroxy-9-oxo-prosta-5,13-dien-1-oic acid ; more

Formula: C20H32O5

Class: Endogenous Metabolites

Spectral Data

8-Isoprostaglandin E2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 1826
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2020 6:37:42 AM
View Mass Spec Data > >

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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19+/m0/s1
InChI Key XEYBRNLFEZDVAW-CLQOMRTCSA-N
Canonical SMILES CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
CAS 27415254
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Other Names 8-epi-Pge2;
8-epi-Prostaglandin E2;
8-Iso-pge2;
(5Z,8b,11a,13E,15S)-11,15-Dihydroxy-9-oxo-prosta-5,13-dien-1-oate;
(5Z,8b,11a,13E,15S)-11,15-Dihydroxy-9-oxo-prosta-5,13-dien-1-oic acid;
7-[3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl]-5-heptenoate;
9-Oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R];
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5Z,8β,11α,13E,15S)-

In Other Databases

ChemIDPlus 027415254
HMDb HMDB0005844
ChemSpider 4446334
PubChem 5283213
ChEBI CHEBI:131888