13,14-Dihydro-15-keto Prostaglandin E2

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Systematic / IUPAC Name: (Z)-7-[(1R,2R,3R)-3-Hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]hept-5-enoic acid

ID: Reference9739

Other Names: 13,14-Dihydro-15-keto-pge2;
13,14-Dihydro-15-ketoprostaglandin E2;
13,14-Dihydro-15-oxo-prostaglandin E2;
15-Keto-13,14-dihydro-pge2;
15-Keto-13,14-dihydroprostaglandin E2 ; more

Formula: C20H32O5

Class: Endogenous Metabolites

Spectral Data

13,14-Dihydro-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 2
No. of Spectra 2270
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2020 7:09:18 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/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,19-/m1/s1
InChI Key CUJMXIQZWPZMNQ-XYYGWQPLSA-N
Canonical SMILES CCCCCC(=O)CCC1C(CC(=O)C1CC=CCCCC(=O)O)O
CAS 363235
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Other Names 13,14-Dihydro-15-keto-pge2;
13,14-Dihydro-15-ketoprostaglandin E2;
13,14-Dihydro-15-oxo-prostaglandin E2;
15-Keto-13,14-dihydro-pge2;
15-Keto-13,14-dihydroprostaglandin E2;
Dhk-pge2;
KH(2)Pge(2);
Pge2 13,14-dihydro;
Pge2, 13,14-dihydro15-oxo;
Pgem;
(5Z)-(15S)-11α-Hydroxy-9,15-dioxoprostanoate;
(5Z)-11α-Hydroxy-9,15-dioxoprost-5-enoic acid;
11-α-Hydroxy-9,15-dioxoprost-5-enoate;
11-α-Hydroxy-9,15-dioxoprost-5-enoic acid;
9,15-Dioxo-11R-hydroxy-5Z-prostenoic acid;
Prost-5-en-1-oic acid, 11-hydroxy-9,15-dioxo-, (5Z,11α)-

In Other Databases

PubChem 5280711
ChemSpider 4444296
ChemIDPlus 000363235
KEGG C04671
ChEBI CHEBI:15550
HMDb HMDB0002776