11β-Prostaglandin E2

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

ID: Reference9760

Other Names: 11β-PGE2;
11b-PGE2;
(Z)-7-[(1R,2R,3S)-3-Hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid;
9-Oxo-11S,15S-dihydroxy-5Z,13E-prostadienoic acid;
11-epi PGE2

Formula: C20H32O5

Class: Endogenous Metabolites

Spectral Data

11β-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 1305
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2020 7:39:24 AM
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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-YUOXZBOXSA-N
Canonical SMILES CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
CAS 38310906
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Other Names 11β-PGE2;
11b-PGE2;
(Z)-7-[(1R,2R,3S)-3-Hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid;
9-Oxo-11S,15S-dihydroxy-5Z,13E-prostadienoic acid;
11-epi PGE2

In Other Databases

ChemSpider 4446188
ChEBI CHEBI:89581
PubChem 5283061
HMDb HMDB0060041