3,14-dihydro-15-keto-tetranor Prostaglandin E2

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

ID: Reference9791

Other Names: 9,15-Dioxo-11α-hydroxy-2,3,4,5-tetranor-prostanoic acid

Formula: C16H26O5

Class: Endogenous Metabolites

Spectral Data

3,14-dihydro-15-keto-tetranor 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 2729
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/25/2020 12:57:40 PM
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Identificators

InChI InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-14,18H,2-10H2,1H3,(H,20,21)/t12-,13-,14-/m1/s1
InChI Key FGACPXKRXBKDQL-MGPQQGTHSA-N
Canonical SMILES CCCCCC(=O)CCC1C(CC(=O)C1CCC(=O)O)O
CAS 20675858
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Other Names 9,15-Dioxo-11α-hydroxy-2,3,4,5-tetranor-prostanoic acid

In Other Databases

ChemSpider 29341954
PubChem 71684706