Prostaglandin E3

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Systematic / IUPAC Name: (5Z,11α,13E,15S,17Z)-11,15-Dihydroxy-9-oxoprosta-5,13,17-trien-1-oic acid

ID: Reference9803

Other Names: δ(17)-PGE1;
δ(17)-Prostaglandin E1;
PGE1, δ(17)-;
PGE3;
(5Z,13E,15S,17Z)-11α,15-Dihydroxy-9-oxoprosta-5,13,17-trien-1-oic acid ; more

Formula: C20H30O5

Class: Endogenous Metabolites

Spectral Data

Prostaglandin E3 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 2775
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/25/2020 6:43:11 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/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChI Key CBOMORHDRONZRN-QLOYDKTKSA-N
Canonical SMILES CCC=CCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
CAS 802313
Splash
Other Names δ(17)-PGE1;
δ(17)-Prostaglandin E1;
PGE1, δ(17)-;
PGE3;
(5Z,13E,15S,17Z)-11α,15-Dihydroxy-9-oxoprosta-5,13,17-trien-1-oic acid;
7-[3-Hydroxy-2-(3-hydroxy-1,5-octadienyl)-5-oxocyclopentyl]-5-heptenoate;
7-[3-Hydroxy-2-(3-hydroxy-1,5-octadienyl)-5-oxocyclopentyl]-5-heptenoic acid;
7-[3-Hydroxy-2-(3-hydroxy-1,5-octadienyl)-5-oxocyclopentyl]-5-heptenoic acid stereoisomer;
9-Oxo-11R,15S-dihydroxy-5Z,13E,17Z-prostatrienoic acid;
Prosta-5,13,17-trien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5Z,11α,13E,15S,17Z)-

In Other Databases

ChemSpider 4444439
ChEMBL CHEMBL2074717
HMDb HMDB0002664
Wikipedia Prostaglandin E3
ChemIDPlus 000802313
PubChem 5280937
ChEBI CHEBI:28031
KEGG C06439