5-trans-Prostaglandin E2

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

ID: Reference9823

Other Names: 5-trans-PGE2;
PGE2, 5,6-trans;
(E)-7-((1R,2R,3R)-3-Hydroxy-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid;
9-Oxo-11R,15S-dihydroxy-5E,13E-prostadienoic acid;
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5E,11α,13E,15S)-

Formula: C20H32O5

Class: Endogenous Metabolites

Spectral Data

5-trans-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 2
No. of Spectra 2635
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2020 2:54:24 PM
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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-BRNHSORCSA-N
Canonical SMILES CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
CAS 36150002
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Other Names 5-trans-PGE2;
PGE2, 5,6-trans;
(E)-7-((1R,2R,3R)-3-Hydroxy-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid;
9-Oxo-11R,15S-dihydroxy-5E,13E-prostadienoic acid;
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5E,11α,13E,15S)-

In Other Databases

PubChem 5283116
ChemSpider 4446240