15-Deoxy-Δ12,14-prostaglandin A1

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Systematic / IUPAC Name: (12Z,14E)-9-Oxoprosta-10,12,14-trien-1-oic acid

ID: Reference4724

Other Names: 15-Deoxy-Δ12,14-PGA1 ;
Prosta-10,12,14-trien-1-oic acid, 9-oxo-, (12Z,14E)-;
7-{(1R,2Z)-2-[(E)-Oct-2-enylidene]-5-oxocyclopent-3-en-1-yl}heptanoic acid

Formula: C20H30O3

Class: Endogenous Metabolites

Spectral Data

15-Deoxy-Δ12,14-prostaglandin A1 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 Elite
No. of Spectral Trees 1
No. of Spectra 2349
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/2/2016 9:56:31 AM
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Identificators

InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1
InChI Key LDOCIRJMPUHXRM-YUJGFSRTSA-N
Canonical SMILES CCCCCC=CC=C1C=CC(=O)C1CCCCCCC(=O)O
CAS 573951209
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Other Names 15-Deoxy-Δ12,14-PGA1 ;
Prosta-10,12,14-trien-1-oic acid, 9-oxo-, (12Z,14E)-;
7-{(1R,2Z)-2-[(E)-Oct-2-enylidene]-5-oxocyclopent-3-en-1-yl}heptanoic acid

In Other Databases

PubChem 16061103
ChemSpider 17220786