15-Deoxy-Δ12,14-prostaglandin D2

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Systematic / IUPAC Name: (5Z,9α,12E,14E)-9-Hydroxy-11-oxoprosta-5,12,14-trien-1-oic acid

ID: Reference9795

Other Names: 15-deoxy-PGD2;
(Z)-7-[(1R,2E,5S)-5-Hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid;
9α-Hydroxy-11-oxo-prosta-5Z,12E,14E-trien-1-oic acid

Formula: C20H30O4

Class: Endogenous Metabolites

Spectral Data

15-Deoxy-Δ12,14-prostaglandin D2 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 3060
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/25/2020 9:06:02 AM
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Identificators

InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1
InChI Key QUGBPWLPAUHDTI-PLGLXCLHSA-N
Canonical SMILES CCCCCC=CC=C1C(C(CC1=O)O)CC=CCCCC(=O)O
CAS 85235116
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Other Names 15-deoxy-PGD2;
(Z)-7-[(1R,2E,5S)-5-Hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid;
9α-Hydroxy-11-oxo-prosta-5Z,12E,14E-trien-1-oic acid

In Other Databases

HMDb HMDB0062298
ChemSpider 4446179
ChEMBL CHEMBL164599
PubChem 5283052