8-Iso prostaglandin A2

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

ID: Reference9858

Other Names: 9-Oxo-15S-hydroxy-(8 β )-prosta-5Z,10,13E-trien-1-oic acid;
(5Z,8β,13E,15S)-15-Hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid;
8-epi PGA2

Formula: C20H30O4

Class: Endogenous Metabolites

Spectral Data

8-Iso prostaglandin A2 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 1
No. of Spectra 1814
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/30/2020 7:28:37 AM
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Identificators

InChI InChI=1S/C20H30O4/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/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18-/m0/s1
InChI Key MYHXHCUNDDAEOZ-UKUWKSPLSA-N
Canonical SMILES CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
CAS 474391667
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Other Names 9-Oxo-15S-hydroxy-(8 β )-prosta-5Z,10,13E-trien-1-oic acid;
(5Z,8β,13E,15S)-15-Hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid;
8-epi PGA2

In Other Databases

ChemSpider 24662362
ChEMBL CHEMBL1083802
PubChem 35020890