15-keto Prostaglandin E1

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Systematic / IUPAC Name: 7-[(1R,2R,3R)-3-Hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]heptanoic acid

ID: Reference9743

Other Names: 15-Dehydro-prostaglandin E1;
15-Keto-pge;
15-Keto-pge1;
15-Keto-pge1-α;
15-Ketoprostaglandin E ; more

Formula: C20H32O5

Class: Endogenous Metabolites

Spectral Data

15-keto Prostaglandin E1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 3940
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2020 7:35:58 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/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t16-,17-,19-/m1/s1
InChI Key VXPBDCBTMSKCKZ-XQHNHVHJSA-N
Canonical SMILES CCCCCC(=O)C=CC1C(CC(=O)C1CCCCCCC(=O)O)O
CAS 22973199
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Other Names 15-Dehydro-prostaglandin E1;
15-Keto-pge;
15-Keto-pge1;
15-Keto-pge1-α;
15-Ketoprostaglandin E;
15-Keto-prostaglandin E1;
15-Oxo-pge1;
15-Oxoprostaglandin E1;
(11a,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-oate;
(11a,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-oic acid;
(11α,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-oate;
(11α,13E)-11-Hydroxy-9,15-dioxoprost-13-en-1-oic acid;
(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid;
(13E)-11α-Hydroxy-9,15-dioxoprost-13-en-1-oate;
(13E)-11α-Hydroxy-9,15-dioxoprost-13-en-1-oic acid;
(13E)-11α-Hydroxy-9,15-dioxoprost-13-enoate;
(13E)-11-α-Hydroxy-9,15-dioxoprost-13-enoic acid;
1-Hydroxy-9,15-dioxo-(11a,13E)-prost-13-en-1-oate;
1-Hydroxy-9,15-dioxo-(11a,13E)-prost-13-en-1-oic acid;
3-Hydroxy-5-oxo-2-(3-oxo-1-octenyl)-cyclopentaneheptanoate;
3-Hydroxy-5-oxo-2-(3-oxo-1-octenyl)-cyclopentaneheptanoic acid;
9,15-Dioxo-11R-hydroxy-13E-prostaenoate;
9,15-Dioxo-11R-hydroxy-13E-prostaenoic acid;
Prost-13-en-1-oic acid, 11-hydroxy-9,15-dioxo-, (11α,13E)-;
9,15-dioxo-11α-hydroxy-prost-13E-en-1-oic acid

In Other Databases

ChEBI CHEBI:15548
PubChem 5280710
ChemIDPlus 022973199
HMDb HMDB0001320
ChemSpider 4444295
KEGG C04654