Prostaglandin J2

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

ID: Reference9793

Other Names: 9-Deoxy-δ-9-PGD2;
9-Deoxy-δ-9-prostaglandin D2;
PGJ2;
(Z)-7-[(1S,5R)-5-[(E,3S)-3-Hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid;
11-Oxo-15S-hydroxy-5Z,8Z,13E-prostatrienoate ; more

Formula: C20H30O4

Class: Endogenous Metabolites

Spectral Data

Prostaglandin J2 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 3299
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/25/2020 8:58:54 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
InChI Key UQOQENZZLBSFKO-POPPZSFYSA-N
Canonical SMILES CCCCCC(C=CC1C(C=CC1=O)CC=CCCCC(=O)O)O
CAS 60203578
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Other Names 9-Deoxy-δ-9-PGD2;
9-Deoxy-δ-9-prostaglandin D2;
PGJ2;
(Z)-7-[(1S,5R)-5-[(E,3S)-3-Hydroxyoct-1-enyl]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid;
11-Oxo-15S-hydroxy-5Z,8Z,13E-prostatrienoate;
11-Oxo-15S-hydroxy-5Z,8Z,13E-prostatrienoic acid;
7-[2R-3S-Hydroxy-1E-octenyl)-3-oxo-4-cyclopenten-1R-yl]-5Z-heptenoic acid;
Prosta-5,9,13-trien-1-oic acid, 15-hydroxy-11-oxo-, (5Z,13E,15S)-;
11-Oxo-15S-hydroxy-prosta-5Z,9,13E-trien-1-oic acid

In Other Databases

KEGG C05957
ChEMBL CHEMBL1397260
ChemIDPlus 060203578
HMDb HMDB0002710
PubChem 5280884
ChemSpider 4444407
ChEBI CHEBI:27485