8-iso-15-keto Prostaglandin E2

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

ID: Reference9843

Other Names: (Z)-7-[(1S,2R,3R)-3-Hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid;
9,15-Dioxo-11R-hydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R];
8-epi-15-keto PGE2;
8-iso-15-keto PGE2;
9,15-dioxo-11α-hydroxy-(8β)-prosta-5Z,13E-1-oic acid

Formula: C20H30O5

Class: Endogenous Metabolites

Spectral Data

8-iso-15-keto Prostaglandin E2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 3166
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/23/2020 8:46:55 AM
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Identificators

InChI InChI=1S/C20H30O5/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/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19+/m0/s1
InChI Key YRTJDWROBKPZNV-RSNVZYGJSA-N
Canonical SMILES CCCCCC(=O)C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O
CAS 914804630
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Other Names (Z)-7-[(1S,2R,3R)-3-Hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid;
9,15-Dioxo-11R-hydroxy-5Z,13E-prostadienoic acid-cyclo[8S,12R];
8-epi-15-keto PGE2;
8-iso-15-keto PGE2;
9,15-dioxo-11α-hydroxy-(8β)-prosta-5Z,13E-1-oic acid

In Other Databases

PubChem 16061134
ChemSpider 17216193