Prostaglandin A3

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Systematic / IUPAC Name: (Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-Hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid

ID: Reference9740

Other Names: Pga3;
(5Z,13E,15S,17Z)-15-Hydroxy-9-oxoprosta-5,10,13,17-tetraen-1-oic acid;
9-Oxo-15S-hydroxy-5Z,10Z,13E,17Z-prostatetraenoic acid

Formula: C20H28O4

Class: Endogenous Metabolites

Spectral Data

Prostaglandin A3 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 2582
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/5/2020 7:20:56 AM
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Identificators

InChI InChI=1S/C20H28O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h3-4,6-7,12-18,21H,2,5,8-11H2,1H3,(H,23,24)/b6-3-,7-4-,14-12+/t16-,17-,18+/m0/s1
InChI Key KSIRMUMXJFWKAC-FHJHOUOTSA-N
Canonical SMILES CCC=CCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
CAS 36614310
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Other Names Pga3;
(5Z,13E,15S,17Z)-15-Hydroxy-9-oxoprosta-5,10,13,17-tetraen-1-oic acid;
9-Oxo-15S-hydroxy-5Z,10Z,13E,17Z-prostatetraenoic acid

In Other Databases

PubChem 5283112
ChemSpider 4446236
ChEBI CHEBI:134510