ent-prostaglandin E2

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Systematic / IUPAC Name: (5Z,8β,11β,12α,13E,15R)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid

ID: Reference9820

Other Names: ent-PGE2;
9-oxo-11β,15R-dihydroxy-(8β,12α)-prosta-5Z,13E-dien-1-oic acid

Formula: C20H32O5

Class: Endogenous Metabolites

Spectral Data

ent-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 2889
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2020 2:46:05 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+/m1/s1
InChI Key XEYBRNLFEZDVAW-OBUVHCMGSA-N
Canonical SMILES CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
CAS 65085690
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Other Names ent-PGE2;
9-oxo-11β,15R-dihydroxy-(8β,12α)-prosta-5Z,13E-dien-1-oic acid

In Other Databases

ChemSpider 8422937
PubChem 10247450